N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(methylthio)-3-nitro-benzamide Formula: C17H14N2O6S MolecularWeight: 374.36786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])OCO2

InChI

InChI=1S/C17H14N2O6S/c1-9(20)11-6-14-15(25-8-24-14)7-12(11)18-17(21)10-3-4-16(26-2)13(5-10)19(22)23/h3-7H,8H2,1-2H3,(H,18,21)