N-[2-(4-methylphenyl)benzotriazol-5-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[2-(4-methylphenyl)benzotriazol-5-yl]-3,5-dinitro-benzamide Openeye Name: 3,5-dinitro-N-[2-(p-tolyl)benzotriazol-5-yl]benzamide CAS Name: N-[2-(4-methylphenyl)-5-benzotriazolyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-(4-methylphenyl)benzotriazol-5-yl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-[2-(p-tolyl)benzotriazol-5-yl]benzamide Formula: C20H14N6O5 MolecularWeight: 418.36236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H14N6O5/c1-12-2-5-15(6-3-12)24-22-18-7-4-14(10-19(18)23-24)21-20(27)13-8-16(25(28)29)11-17(9-13)26(30)31/h2-11H,1H3,(H,21,27)