[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4,6-trimethylbenzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4,6-trimethylbenzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C19H20N2O5 MolecularWeight: 356.3725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5/c1-11-8-12(2)17(13(3)9-11)19(23)26-14(4)18(22)20-15-6-5-7-16(10-15)21(24)25/h5-10,14H,1-4H3,(H,20,22)