[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C18H17BrN2O5S MolecularWeight: 453.30698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H17BrN2O5S/c1-11-9-13(19)7-8-16(11)27-10-17(22)26-12(2)18(23)20-14-5-3-4-6-15(14)21(24)25/h3-9,12H,10H2,1-2H3,(H,20,23)