N-[1-azanyl-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide

Systemtic Name: N-[1-azanyl-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide Openeye Name: N-[2-amino-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]-2-(4-pyridyl)-1H-benzimidazole-4-carboxamide CAS Name: N-[1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide IUPAC Name: N-[1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide Traditional Name: N-[2-amino-2-keto-1-(4-nitrobenzyl)ethyl]-2-(4-pyridyl)-1H-benzimidazole-4-carboxamide Formula: C22H18N6O4 MolecularWeight: 430.41612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)NC(=N2)C3=CC=NC=C3)C(=O)NC(CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1=CC(=C2C(=C1)NC(=N2)C3=CC=NC=C3)C(=O)NC(CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C22H18N6O4/c23-20(29)18(12-13-4-6-15(7-5-13)28(31)32)26-22(30)16-2-1-3-17-19(16)27-21(25-17)14-8-10-24-11-9-14/h1-11,18H,12H2,(H2,23,29)(H,25,27)(H,26,30)