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

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C16H13N3O7 MolecularWeight: 359.29032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O7/c1-10(15(20)17-11-6-8-12(9-7-11)18(22)23)26-16(21)13-4-2-3-5-14(13)19(24)25/h2-10H,1H3,(H,17,20)