[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C17H15ClN2O7 MolecularWeight: 394.7632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])Cl)OC

InChI

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