[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-aminocarbonylbenzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-aminocarbonylbenzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-carbamoylbenzoate CAS Name: 4-carbamoylbenzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-carbamoylbenzoate Traditional Name: 4-carbamoylbenzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C17H15N3O6 MolecularWeight: 357.3175

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C17H15N3O6/c1-10(16(22)19-13-3-2-4-14(9-13)20(24)25)26-17(23)12-7-5-11(6-8-12)15(18)21/h2-10H,1H3,(H2,18,21)(H,19,22)