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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

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