(E,4Z)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoate

C10H6Cl2N3O4- — CID 7164404

IUPAC(E,4Z)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoate
SMILESO=C([O-])/C(Cl)=C(Cl)/C=N\Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H7Cl2N3O4/c11-8(9(12)10(16)17)5-13-14-6-1-3-7(4-2-6)15(18)19/h1-5,14H,(H,16,17)/p-1/b9-8+,13-5-
InChIKeyIPZTWAULIXCHDE-MUNAZHMESA-M
MW303.08 g/mol
LogP1.43
Rot. Bonds5

About (E,4Z)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoate

(E,4Z)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoate (PubChem CID 7164404) has the molecular formula C10H6Cl2N3O4- and a molecular weight of 303.08 g/mol. Its IUPAC name is (E,4Z)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoate.

Molecular Properties

Compound Name(E,4Z)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoate
PubChem CID7164404
Molecular FormulaC10H6Cl2N3O4-
Molecular Weight303.08 g/mol
Exact Mass301.97
IUPAC Name(E,4Z)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoate
SMILESO=C([O-])/C(Cl)=C(Cl)/C=N\Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H7Cl2N3O4/c11-8(9(12)10(16)17)5-13-14-6-1-3-7(4-2-6)15(18)19/h1-5,14H,(H,16,17)/p-1/b9-8+,13-5-
InChIKeyIPZTWAULIXCHDE-MUNAZHMESA-M
XLogP1.43
TPSA107.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.08
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoic acid
CID 2774696
(2E)-2-[(4-nitrophenyl)hydrazinylidene]acetic acid
CID 11816613
(1E)-1-[(4-nitrophenyl)hydrazinylidene]pentane-2,4-dione
CID 141451524
(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
CID 6518748
4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 7329457
5-[(4-nitrophenyl)hydrazinylidene]pent-3-en-2-one
CID 131887668
4-nitro-N-[(Z)-2,2,2-trifluoroethylideneamino]aniline
CID 70056050
methyl 4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 74861828
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 13082265
2,4-dinitro-6-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 136886764

Frequently Asked Questions

What is the IUPAC name of (E,4Z)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoate?
The IUPAC name of (E,4Z)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoate (CID 7164404) is (E,4Z)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoate.
What is the SMILES notation for (E,4Z)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoate?
The canonical SMILES for (E,4Z)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoate is O=C([O-])/C(Cl)=C(Cl)/C=N\Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (E,4Z)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoate?
The InChIKey is IPZTWAULIXCHDE-MUNAZHMESA-M. The full InChI is InChI=1S/C10H7Cl2N3O4/c11-8(9(12)10(16)17)5-13-14-6-1-3-7(4-2-6)15(18)19/h1-5,14H,(H,16,17)/p-1/b9-8+,13-5-.
What are the key properties of (E,4Z)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoate?
(E,4Z)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoate has a molecular weight of 303.08 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4Z)-2,3-dichloro-4-[(4-nitrophenyl)hydrazinylidene]but-2-enoate is sourced from PubChem (CID 7164404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).