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

Systemtic Name: N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-3,5-dinitro-benzamide Openeye Name: N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-3,5-dinitro-benzamide CAS Name: N-[2-(4-methoxyphenyl)-5-benzotriazolyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-3,5-dinitrobenzamide Traditional Name: N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-3,5-dinitro-benzamide Formula: C20H14N6O6 MolecularWeight: 434.36176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H14N6O6/c1-32-17-5-3-14(4-6-17)24-22-18-7-2-13(10-19(18)23-24)21-20(27)12-8-15(25(28)29)11-16(9-12)26(30)31/h2-11H,1H3,(H,21,27)