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

Systemtic Name: 4-(1,3-dithian-2-yl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide Openeye Name: 4-(1,3-dithian-2-yl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]benzamide CAS Name: 4-(1,3-dithian-2-yl)-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide IUPAC Name: 4-(1,3-dithian-2-yl)-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-(2-hydroxy-5-nitro-benzyl)benzamide Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H18N2O4S2/c21-16-7-6-15(20(23)24)10-14(16)11-19-17(22)12-2-4-13(5-3-12)18-25-8-1-9-26-18/h2-7,10,18,21H,1,8-9,11H2,(H,19,22)