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

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-acetamidobenzoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6/c1-11(17(23)20-15-7-9-16(10-8-15)21(25)26)27-18(24)13-3-5-14(6-4-13)19-12(2)22/h3-11H,1-2H3,(H,19,22)(H,20,23)