[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 2-[(1-bromo-2-naphthyl)sulfanyl]acetate CAS Name: 2-[(1-bromo-2-naphthalenyl)thio]acetic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)sulfanylacetate Traditional Name: 2-[(1-bromo-2-naphthyl)thio]acetic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C21H17BrN2O6S MolecularWeight: 505.33848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CSC2=C(C3=CC=CC=C3C=C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CSC2=C(C3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C21H17BrN2O6S/c1-29-17-8-7-14(24(27)28)10-16(17)23-19(25)11-30-20(26)12-31-18-9-6-13-4-2-3-5-15(13)21(18)22/h2-10H,11-12H2,1H3,(H,23,25)