3-nitro-N-[phenyl(pyridin-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: 3-nitro-N-[phenyl(pyridin-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: 3-nitro-N-[phenyl(2-pyridyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-[phenyl(2-pyridinyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: 3-nitro-N-[phenyl(pyridin-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: 3-nitro-N-[phenyl(2-pyridyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H16N6O3 MolecularWeight: 400.39014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=N2)NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=N2)NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N6O3/c28-21(16-9-10-18(19(12-16)27(29)30)26-14-22-13-24-26)25-20(15-6-2-1-3-7-15)17-8-4-5-11-23-17/h1-14,20H,(H,25,28)