methyl 2-[(2-nitrophenyl)methylideneamino]benzoate

C15H12N2O4 — CID 11055192

IUPACmethyl 2-[(2-nitrophenyl)methylideneamino]benzoate
SMILESCOC(=O)c1ccccc1/N=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H12N2O4/c1-21-15(18)12-7-3-4-8-13(12)16-10-11-6-2-5-9-14(11)17(19)20/h2-10H,1H3/b16-10+
InChIKeyHHRKYCFRLVFDAI-MHWRWJLKSA-N
MW284.27 g/mol
LogP3.13
Rot. Bonds4

About methyl 2-[(2-nitrophenyl)methylideneamino]benzoate

methyl 2-[(2-nitrophenyl)methylideneamino]benzoate (PubChem CID 11055192) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is methyl 2-[(2-nitrophenyl)methylideneamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-nitrophenyl)methylideneamino]benzoate
PubChem CID11055192
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Namemethyl 2-[(2-nitrophenyl)methylideneamino]benzoate
SMILESCOC(=O)c1ccccc1/N=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H12N2O4/c1-21-15(18)12-7-3-4-8-13(12)16-10-11-6-2-5-9-14(11)17(19)20/h2-10H,1H3/b16-10+
InChIKeyHHRKYCFRLVFDAI-MHWRWJLKSA-N
XLogP3.13
TPSA81.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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

2-[(2-nitrophenyl)methylideneamino]benzamide
CID 794642
fluoromethane;methyl 2-nitrobenzoate;1,1,1-trifluoroethane
CID 159234474
methyl 2-(2-nitrobenzoyl)benzoate
CID 174908464
methyl 2-[(E)-3-(2-nitrophenyl)prop-1-enyl]benzoate
CID 68691464
methyl 2-benzoyl-3-nitrobenzoate
CID 13401215
N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 520164
methyl 3-[(2-chloro-5-nitrophenyl)methylideneamino]-2-methylbenzoate
CID 126102717
methyl 2-[bromo(dihydroxy)methyl]-3-nitrobenzoate
CID 143994385
methyl 2-[(10-hydroxyphenanthren-9-yl)methylideneamino]benzoate
CID 135613003
methyl 2-[(E)-2-(4-nitrophenyl)ethenyl]benzoate
CID 6300586
dimethyl 5-[[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzene-1,3-dicarboxylate
CID 90486703
N-(3-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 4191287

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-nitrophenyl)methylideneamino]benzoate?
The IUPAC name of methyl 2-[(2-nitrophenyl)methylideneamino]benzoate (CID 11055192) is methyl 2-[(2-nitrophenyl)methylideneamino]benzoate.
What is the SMILES notation for methyl 2-[(2-nitrophenyl)methylideneamino]benzoate?
The canonical SMILES for methyl 2-[(2-nitrophenyl)methylideneamino]benzoate is COC(=O)c1ccccc1/N=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of methyl 2-[(2-nitrophenyl)methylideneamino]benzoate?
The InChIKey is HHRKYCFRLVFDAI-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-21-15(18)12-7-3-4-8-13(12)16-10-11-6-2-5-9-14(11)17(19)20/h2-10H,1H3/b16-10+.
What are the key properties of methyl 2-[(2-nitrophenyl)methylideneamino]benzoate?
methyl 2-[(2-nitrophenyl)methylideneamino]benzoate has a molecular weight of 284.27 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-nitrophenyl)methylideneamino]benzoate is sourced from PubChem (CID 11055192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).