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

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C17H13N3O5 MolecularWeight: 339.30222

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O5/c1-11(25-17(22)13-8-6-12(10-18)7-9-13)16(21)19-14-4-2-3-5-15(14)20(23)24/h2-9,11H,1H3,(H,19,21)