3-(1H-benzimidazol-2-yl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide

Systemtic Name: 3-(1H-benzimidazol-2-yl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide Openeye Name: 3-(1H-benzimidazol-2-yl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]propanamide CAS Name: 3-(1H-benzimidazol-2-yl)-N-[(2-hydroxy-5-nitrophenyl)methyl]propanamide IUPAC Name: 3-(1H-benzimidazol-2-yl)-N-[(2-hydroxy-5-nitrophenyl)methyl]propanamide Traditional Name: 3-(1H-benzimidazol-2-yl)-N-(2-hydroxy-5-nitro-benzyl)propionamide Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H16N4O4/c22-15-6-5-12(21(24)25)9-11(15)10-18-17(23)8-7-16-19-13-3-1-2-4-14(13)20-16/h1-6,9,22H,7-8,10H2,(H,18,23)(H,19,20)