[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C18H16N2O6 MolecularWeight: 356.32944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O6/c1-11-9-14(5-8-16(11)20(24)25)18(23)26-10-17(22)13-3-6-15(7-4-13)19-12(2)21/h3-9H,10H2,1-2H3,(H,19,21)