[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C17H15ClN2O5 MolecularWeight: 362.7644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O5/c1-10-5-11(2)7-12(6-10)17(22)25-9-16(21)19-13-3-4-14(18)15(8-13)20(23)24/h3-8H,9H2,1-2H3,(H,19,21)