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

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C17H13N3O5 MolecularWeight: 339.30222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5/c1-11-8-12(6-7-15(11)20(23)24)17(22)25-10-16(21)19-14-5-3-2-4-13(14)9-18/h2-8H,10H2,1H3,(H,19,21)