4-azanyl-N-[(2-imidazol-1-ylpyridin-3-yl)methyl]-3-nitro-benzamide

Systemtic Name: 4-azanyl-N-[(2-imidazol-1-ylpyridin-3-yl)methyl]-3-nitro-benzamide Openeye Name: 4-amino-N-[(2-imidazol-1-yl-3-pyridyl)methyl]-3-nitro-benzamide CAS Name: 4-amino-N-[[2-(1-imidazolyl)-3-pyridinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-amino-N-[(2-imidazol-1-ylpyridin-3-yl)methyl]-3-nitrobenzamide Traditional Name: 4-amino-N-[(2-imidazol-1-yl-3-pyridyl)methyl]-3-nitro-benzamide Formula: C16H14N6O3 MolecularWeight: 338.32076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)N2C=CN=C2)CNC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)N2C=CN=C2)CNC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O3/c17-13-4-3-11(8-14(13)22(24)25)16(23)20-9-12-2-1-5-19-15(12)21-7-6-18-10-21/h1-8,10H,9,17H2,(H,20,23)