4-[(2-imidazol-1-ylpyridin-3-yl)methylamino]-3-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)N2C=CN=C2)CNC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)N2C=CN=C2)CNC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

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