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

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-3-(2-oxo-3-propyl-benzimidazol-1-yl)propanamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-3-(2-oxo-3-propyl-1-benzimidazolyl)propanamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-3-(2-keto-3-propyl-benzimidazol-1-yl)propionamide Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H22N4O5/c1-2-10-22-16-5-3-4-6-17(16)23(20(22)27)11-9-19(26)21-13-14-12-15(24(28)29)7-8-18(14)25/h3-8,12,25H,2,9-11,13H2,1H3,(H,21,26)