4-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(5-chloro-2,4-dimethoxy-anilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(5-chloro-2,4-dimethoxy-anilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C17H16ClN3O6S MolecularWeight: 425.84344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C17H16ClN3O6S/c1-26-13-7-14(27-2)11(6-10(13)18)20-16(22)8-28-15-4-3-9(17(19)23)5-12(15)21(24)25/h3-7H,8H2,1-2H3,(H2,19,23)(H,20,22)