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

Systemtic Name: N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-benzamide Openeye Name: 4-nitro-N-[1-(o-tolylmethyl)-1,2,4-triazol-3-yl]benzamide CAS Name: N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitrobenzamide IUPAC Name: N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitrobenzamide Traditional Name: N-[1-(2-methylbenzyl)-1,2,4-triazol-3-yl]-4-nitro-benzamide Formula: C17H15N5O3 MolecularWeight: 337.3327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=NC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C=NC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3/c1-12-4-2-3-5-14(12)10-21-11-18-17(20-21)19-16(23)13-6-8-15(9-7-13)22(24)25/h2-9,11H,10H2,1H3,(H,19,20,23)