methyl 4-[[(4-aminocarbonyl-2-nitro-phenyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-aminocarbonyl-2-nitro-phenyl)amino]methyl]benzoate Openeye Name: methyl 4-[(4-carbamoyl-2-nitro-anilino)methyl]benzoate CAS Name: 4-[(4-carbamoyl-2-nitroanilino)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-carbamoyl-2-nitroanilino)methyl]benzoate Traditional Name: 4-[(4-carbamoyl-2-nitro-anilino)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)CNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

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