(Z)-2-[3-[(Z)-1-carboxy-2-(2-nitrophenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enoic acid

C24H16N2O8 — CID 95564604

IUPAC(Z)-2-[3-[(Z)-1-carboxy-2-(2-nitrophenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccccc1[N+](=O)[O-])c1cccc(/C(=C/c2ccccc2[N+](=O)[O-])C(=O)O)c1
InChIInChI=1S/C24H16N2O8/c27-23(28)19(13-17-6-1-3-10-21(17)25(31)32)15-8-5-9-16(12-15)20(24(29)30)14-18-7-2-4-11-22(18)26(33)34/h1-14H,(H,27,28)(H,29,30)/b19-13-,20-14-
InChIKeyGVPWNMIBAOVWOU-AXPXABNXSA-N
MW460.40 g/mol
LogP4.75
Rot. Bonds8

About (Z)-2-[3-[(Z)-1-carboxy-2-(2-nitrophenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enoic acid

(Z)-2-[3-[(Z)-1-carboxy-2-(2-nitrophenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enoic acid (PubChem CID 95564604) has the molecular formula C24H16N2O8 and a molecular weight of 460.40 g/mol. Its IUPAC name is (Z)-2-[3-[(Z)-1-carboxy-2-(2-nitrophenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-[3-[(Z)-1-carboxy-2-(2-nitrophenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enoic acid
PubChem CID95564604
Molecular FormulaC24H16N2O8
Molecular Weight460.40 g/mol
Exact Mass460.09
IUPAC Name(Z)-2-[3-[(Z)-1-carboxy-2-(2-nitrophenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccccc1[N+](=O)[O-])c1cccc(/C(=C/c2ccccc2[N+](=O)[O-])C(=O)O)c1
InChIInChI=1S/C24H16N2O8/c27-23(28)19(13-17-6-1-3-10-21(17)25(31)32)15-8-5-9-16(12-15)20(24(29)30)14-18-7-2-4-11-22(18)26(33)34/h1-14H,(H,27,28)(H,29,30)/b19-13-,20-14-
InChIKeyGVPWNMIBAOVWOU-AXPXABNXSA-N
XLogP4.75
TPSA160.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.40
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(5-chloro-2-nitrophenyl)-2-(3-chlorophenyl)prop-2-enoic acid
CID 5372543
2-(2-methylphenyl)-3-(2-nitrophenyl)prop-2-enoic acid
CID 3469700
2-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enoic acid
CID 54099002
methyl (E)-2-(3-fluorophenyl)-3-(2-nitrophenyl)prop-2-enoate
CID 10542304
(Z)-3-(2-aminophenyl)-2-[3-[(Z)-2-(2-aminophenyl)-1-carboxyethenyl]phenyl]prop-2-enoic acid
CID 95564600
(Z)-2-(6-bromo-1,3-benzodioxol-5-yl)-3-(2-nitrophenyl)prop-2-enoic acid
CID 6508920
(E)-2-methyl-3-(2-nitrophenyl)-1-phenylprop-2-en-1-one
CID 12710024
ethyl 3-(2-nitrophenyl)-2-phenylprop-2-enoate
CID 54552089
2-[(2-nitrophenyl)methylidene]-3-oxopentanoic acid
CID 57160343
(2E)-2-[(2-nitrophenyl)methylidene]-1-phenylbutane-1,3-dione
CID 6477117
3-[(2-nitrophenyl)methylidene]pentane-2,4-dione
CID 5077888
(Z)-2-(3-methoxyphenyl)-3-(4-methyl-3-nitrophenyl)prop-2-enoic acid
CID 112720819

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[3-[(Z)-1-carboxy-2-(2-nitrophenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-[3-[(Z)-1-carboxy-2-(2-nitrophenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enoic acid (CID 95564604) is (Z)-2-[3-[(Z)-1-carboxy-2-(2-nitrophenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-[3-[(Z)-1-carboxy-2-(2-nitrophenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-[3-[(Z)-1-carboxy-2-(2-nitrophenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enoic acid is O=C(O)/C(=C\c1ccccc1[N+](=O)[O-])c1cccc(/C(=C/c2ccccc2[N+](=O)[O-])C(=O)O)c1.
What is the InChIKey of (Z)-2-[3-[(Z)-1-carboxy-2-(2-nitrophenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enoic acid?
The InChIKey is GVPWNMIBAOVWOU-AXPXABNXSA-N. The full InChI is InChI=1S/C24H16N2O8/c27-23(28)19(13-17-6-1-3-10-21(17)25(31)32)15-8-5-9-16(12-15)20(24(29)30)14-18-7-2-4-11-22(18)26(33)34/h1-14H,(H,27,28)(H,29,30)/b19-13-,20-14-.
What are the key properties of (Z)-2-[3-[(Z)-1-carboxy-2-(2-nitrophenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enoic acid?
(Z)-2-[3-[(Z)-1-carboxy-2-(2-nitrophenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enoic acid has a molecular weight of 460.40 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[3-[(Z)-1-carboxy-2-(2-nitrophenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enoic acid is sourced from PubChem (CID 95564604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).