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

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(chloranyl)-4-methoxy-benzoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 3,5-dichloro-4-methoxy-benzoate CAS Name: 3,5-dichloro-4-methoxybenzoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate Traditional Name: 3,5-dichloro-4-methoxy-benzoic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C16H12Cl2N2O6 MolecularWeight: 399.18228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H12Cl2N2O6/c1-25-15-12(17)6-9(7-13(15)18)16(22)26-8-14(21)19-10-2-4-11(5-3-10)20(23)24/h2-7H,8H2,1H3,(H,19,21)