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

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4-dimethylbenzoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate Traditional Name: 2,4-dimethylbenzoic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

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