methyl 2-[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(2-bromo-4-nitroanilino)-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-bromo-4-nitroanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(2-bromo-4-nitro-anilino)-2-keto-ethyl]thio]acetic acid methyl ester Formula: C11H11BrN2O5S MolecularWeight: 363.18444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br

Isomeric SMILES

COC(=O)CSCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br

InChI

InChI=1S/C11H11BrN2O5S/c1-19-11(16)6-20-5-10(15)13-9-3-2-7(14(17)18)4-8(9)12/h2-4H,5-6H2,1H3,(H,13,15)