[4-(phenylcarbamoyl)phenyl]methyl 2-azanyl-5-nitro-benzoate

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl 2-azanyl-5-nitro-benzoate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [4-(phenylcarbamoyl)benzyl] ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C21H17N3O5/c22-19-11-10-17(24(27)28)12-18(19)21(26)29-13-14-6-8-15(9-7-14)20(25)23-16-4-2-1-3-5-16/h1-12H,13,22H2,(H,23,25)