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

Systemtic Name: 4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]-3,5-dinitro-benzamide Openeye Name: 4-methyl-3,5-dinitro-N-[2-(p-tolyl)benzotriazol-5-yl]benzamide CAS Name: 4-methyl-N-[2-(4-methylphenyl)-5-benzotriazolyl]-3,5-dinitrobenzamide IUPAC Name: 4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]-3,5-dinitrobenzamide Traditional Name: 4-methyl-3,5-dinitro-N-[2-(p-tolyl)benzotriazol-5-yl]benzamide Formula: C21H16N6O5 MolecularWeight: 432.38894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N6O5/c1-12-3-6-16(7-4-12)25-23-17-8-5-15(11-18(17)24-25)22-21(28)14-9-19(26(29)30)13(2)20(10-14)27(31)32/h3-11H,1-2H3,(H,22,28)