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

Systemtic Name: N-(2-methylphenyl)-3-nitro-4-pyrazol-1-yl-benzamide Openeye Name: 3-nitro-N-(o-tolyl)-4-pyrazol-1-yl-benzamide CAS Name: N-(2-methylphenyl)-3-nitro-4-(1-pyrazolyl)benzamide IUPAC Name: N-(2-methylphenyl)-3-nitro-4-pyrazol-1-ylbenzamide Traditional Name: 3-nitro-N-(o-tolyl)-4-pyrazol-1-yl-benzamide Formula: C17H14N4O3 MolecularWeight: 322.31806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O3/c1-12-5-2-3-6-14(12)19-17(22)13-7-8-15(16(11-13)21(23)24)20-10-4-9-18-20/h2-11H,1H3,(H,19,22)