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

Systemtic Name: N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[2-(4-ethoxyphenyl)-5-benzotriazolyl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-4-methyl-3,5-dinitrobenzamide Traditional Name: 4-methyl-3,5-dinitro-N-(2-p-phenetylbenzotriazol-5-yl)benzamide Formula: C22H18N6O6 MolecularWeight: 462.41492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C22H18N6O6/c1-3-34-17-7-5-16(6-8-17)26-24-18-9-4-15(12-19(18)25-26)23-22(29)14-10-20(27(30)31)13(2)21(11-14)28(32)33/h4-12H,3H2,1-2H3,(H,23,29)