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

Systemtic Name: 3-nitro-N-[2-(phenylmethyl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(2-benzylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-[2-(phenylmethyl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(2-benzylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(2-benzylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C22H17N5O3 MolecularWeight: 399.40208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O3/c28-22(18-10-11-20(21(13-18)27(29)30)26-15-23-14-24-26)25-19-9-5-4-8-17(19)12-16-6-2-1-3-7-16/h1-11,13-15H,12H2,(H,25,28)