[1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-3-nitro-benzoate

Systemtic Name: [1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-3-nitro-benzoate Openeye Name: [1-methyl-2-(N-methylanilino)-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [1-(N-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(N-methylanilino)-1-oxopropan-2-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-keto-1-methyl-2-(N-methylanilino)ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC(C)C(=O)N(C)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC(C)C(=O)N(C)C2=CC=CC=C2

InChI

InChI=1S/C18H18N2O5/c1-12-15(10-7-11-16(12)20(23)24)18(22)25-13(2)17(21)19(3)14-8-5-4-6-9-14/h4-11,13H,1-3H3