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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(methylthio)-3-nitro-benzamide Formula: C15H12N2O5S MolecularWeight: 332.33118

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O5S/c1-23-14-5-2-9(6-11(14)17(19)20)15(18)16-10-3-4-12-13(7-10)22-8-21-12/h2-7H,8H2,1H3,(H,16,18)