4-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OC

InChI

InChI=1S/C17H17N3O6S/c1-25-13-5-4-11(8-14(13)26-2)19-16(21)9-27-15-6-3-10(17(18)22)7-12(15)20(23)24/h3-8H,9H2,1-2H3,(H2,18,22)(H,19,21)