N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-3-nitro-benzamide

Systemtic Name: N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]benzamide CAS Name: N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-3-nitrobenzamide IUPAC Name: N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]benzamide Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3/c1-10-5-7-11(8-6-10)14-17-16(20-19-14)18-15(22)12-3-2-4-13(9-12)21(23)24/h2-9H,1H3,(H2,17,18,19,20,22)