[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C17H15ClN2O7 MolecularWeight: 394.7632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C17H15ClN2O7/c1-25-14-6-3-10(7-15(14)26-2)19-16(21)9-27-17(22)12-8-11(20(23)24)4-5-13(12)18/h3-8H,9H2,1-2H3,(H,19,21)