[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H20ClN3O6S MolecularWeight: 465.9073

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H20ClN3O6S/c1-31-10-9-17(23-19(26)13-5-3-2-4-6-13)20(27)30-12-18(25)22-16-8-7-14(24(28)29)11-15(16)21/h2-8,11,17H,9-10,12H2,1H3,(H,22,25)(H,23,26)