4-(1,3-dithiolan-2-yl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide Openeye Name: 4-(1,3-dithiolan-2-yl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-(2-hydroxy-5-nitro-benzyl)benzamide Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H16N2O4S2/c20-15-6-5-14(19(22)23)9-13(15)10-18-16(21)11-1-3-12(4-2-11)17-24-7-8-25-17/h1-6,9,17,20H,7-8,10H2,(H,18,21)