[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-8-chloranyl-naphthalen-1-yl)sulfanylethanoate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-8-chloranyl-naphthalen-1-yl)sulfanylethanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 2-[(4-bromo-8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(4-bromo-8-chloro-1-naphthalenyl)thio]acetic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-(4-bromo-8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(4-bromo-8-chloro-1-naphthyl)thio]acetic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C21H16BrClN2O6S MolecularWeight: 539.78354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CSC2=C3C(=C(C=C2)Br)C=CC=C3Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CSC2=C3C(=C(C=C2)Br)C=CC=C3Cl

InChI

InChI=1S/C21H16BrClN2O6S/c1-30-17-7-5-12(25(28)29)9-16(17)24-19(26)10-31-20(27)11-32-18-8-6-14(22)13-3-2-4-15(23)21(13)18/h2-9H,10-11H2,1H3,(H,24,26)