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

Systemtic Name: 4-[2-[(2,5-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(2,5-diethoxyanilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(2,5-diethoxyanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(2,5-diethoxyanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(2,5-diethoxyanilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-3-27-13-6-7-16(28-4-2)14(10-13)21-18(23)11-29-17-8-5-12(19(20)24)9-15(17)22(25)26/h5-10H,3-4,11H2,1-2H3,(H2,20,24)(H,21,23)