[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C17H15ClN2O6S MolecularWeight: 410.8288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H15ClN2O6S/c1-25-15-7-2-11(8-14(15)18)19-16(21)9-26-17(22)10-27-13-5-3-12(4-6-13)20(23)24/h2-8H,9-10H2,1H3,(H,19,21)