N-(1,3-benzodioxol-5-yl)-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)thio]propionamide Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O5S/c1-10(24-13-5-3-12(4-6-13)18(20)21)16(19)17-11-2-7-14-15(8-11)23-9-22-14/h2-8,10H,9H2,1H3,(H,17,19)