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

Systemtic Name: N-(3-methylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(m-tolyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-(3-methylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(3-methylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(m-tolyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

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