methyl 4-[[(4-azanyl-3-nitro-phenyl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-azanyl-3-nitro-phenyl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(4-amino-3-nitro-benzoyl)amino]methyl]benzoate CAS Name: 4-[[[(4-amino-3-nitrophenyl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-amino-3-nitrobenzoyl)amino]methyl]benzoate Traditional Name: 4-[[(4-amino-3-nitro-benzoyl)amino]methyl]benzoic acid methyl ester Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5/c1-24-16(21)11-4-2-10(3-5-11)9-18-15(20)12-6-7-13(17)14(8-12)19(22)23/h2-8H,9,17H2,1H3,(H,18,20)