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

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylbenzoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C17H16N2O5 MolecularWeight: 328.31934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5/c1-11-5-3-4-6-15(11)17(21)24-12(2)16(20)18-13-7-9-14(10-8-13)19(22)23/h3-10,12H,1-2H3,(H,18,20)