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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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