N-(4-methylsulfanylphenyl)-6-nitro-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(4-methylsulfanylphenyl)-6-nitro-1,3-benzodioxole-5-carboxamide Openeye Name: N-(4-methylsulfanylphenyl)-6-nitro-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-(methylthio)phenyl]-6-nitro-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(4-methylsulfanylphenyl)-6-nitro-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(methylthio)phenyl]-6-nitro-piperonylamide Formula: C15H12N2O5S MolecularWeight: 332.33118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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