[2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(2-phenylanilino)ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-oxo-2-(2-phenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylanilino)ethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-keto-2-(2-phenylanilino)ethyl] ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

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