[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methoxy-5-nitro-benzoate Openeye Name: [1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxopropan-2-yl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C18H18N2O6 MolecularWeight: 358.34532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H18N2O6/c1-11-6-4-5-7-15(11)19-17(21)12(2)26-18(22)14-10-13(20(23)24)8-9-16(14)25-3/h4-10,12H,1-3H3,(H,19,21)