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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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