[6,8-dinitro-1-(phenylmethyl)-[1,2,4]triazolo[3,4-a]isoindol-5-yl]-(4-methoxyphenyl)methanone

Systemtic Name: [6,8-dinitro-1-(phenylmethyl)-[1,2,4]triazolo[3,4-a]isoindol-5-yl]-(4-methoxyphenyl)methanone Openeye Name: (1-benzyl-6,8-dinitro-[1,2,4]triazolo[3,4-a]isoindol-5-yl)-(4-methoxyphenyl)methanone CAS Name: [6,8-dinitro-1-(phenylmethyl)-[1,2,4]triazolo[3,4-a]isoindol-5-yl]-(4-methoxyphenyl)methanone IUPAC Name: (1-benzyl-6,8-dinitro-[1,2,4]triazolo[3,4-a]isoindol-5-yl)-(4-methoxyphenyl)methanone Traditional Name: (1-benzyl-6,8-dinitro-[1,2,4]triazol[3,4-a]isoindol-5-yl)-(4-methoxyphenyl)methanone Formula: C24H17N5O6 MolecularWeight: 471.42168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=CC3=C4N2C=NN4CC5=CC=CC=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=CC3=C4N2C=NN4CC5=CC=CC=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H17N5O6/c1-35-18-9-7-16(8-10-18)23(30)22-21-19(11-17(28(31)32)12-20(21)29(33)34)24-26(22)14-25-27(24)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3