[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C16H12Cl2N2O6 MolecularWeight: 399.18228

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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-])Cl

Isomeric SMILES

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

InChI

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