[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methylbenzoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C17H16N2O5 MolecularWeight: 328.31934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5/c1-11-4-3-5-13(8-11)17(21)24-10-16(20)18-15-9-14(19(22)23)7-6-12(15)2/h3-9H,10H2,1-2H3,(H,18,20)