[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H17ClN4O5S MolecularWeight: 424.85868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C17H17ClN4O5S/c1-9-6-10(2)20-17(19-9)28-8-15(23)27-11(3)16(24)21-14-5-4-12(22(25)26)7-13(14)18/h4-7,11H,8H2,1-3H3,(H,21,24)