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

Systemtic Name: 4-nitro-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]benzamide Openeye Name: N-(1-benzyl-1,2,4-triazol-3-yl)-4-nitro-benzamide CAS Name: 4-nitro-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]benzamide IUPAC Name: N-(1-benzyl-1,2,4-triazol-3-yl)-4-nitrobenzamide Traditional Name: N-(1-benzyl-1,2,4-triazol-3-yl)-4-nitro-benzamide Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3/c22-15(13-6-8-14(9-7-13)21(23)24)18-16-17-11-20(19-16)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,19,22)