N-(2-methyl-5-nitro-phenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-(2-methyl-5-nitrophenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C17H15N5O3 MolecularWeight: 337.3327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

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