[(2R)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(2R)-1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [(2R)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [(1R)-2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H19ClN2O6S MolecularWeight: 450.89266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)CCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)CCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C20H19ClN2O6S/c1-12(20(26)22-17-8-5-14(23(27)28)11-16(17)21)29-19(25)10-9-18(24)13-3-6-15(30-2)7-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)/t12-/m1/s1