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

Systemtic Name: (4-bromophenyl)-[6,8-dinitro-1-(phenylmethyl)-[1,2,4]triazolo[3,4-a]isoindol-5-yl]methanone Openeye Name: (1-benzyl-6,8-dinitro-[1,2,4]triazolo[3,4-a]isoindol-5-yl)-(4-bromophenyl)methanone CAS Name: (4-bromophenyl)-[6,8-dinitro-1-(phenylmethyl)-[1,2,4]triazolo[3,4-a]isoindol-5-yl]methanone IUPAC Name: (1-benzyl-6,8-dinitro-[1,2,4]triazolo[3,4-a]isoindol-5-yl)-(4-bromophenyl)methanone Traditional Name: (1-benzyl-6,8-dinitro-[1,2,4]triazol[3,4-a]isoindol-5-yl)-(4-bromophenyl)methanone Formula: C23H14BrN5O5 MolecularWeight: 520.29176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C4C=C(C=C(C4=C(N3C=N2)C(=O)C5=CC=C(C=C5)Br)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C4C=C(C=C(C4=C(N3C=N2)C(=O)C5=CC=C(C=C5)Br)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H14BrN5O5/c24-16-8-6-15(7-9-16)22(30)21-20-18(10-17(28(31)32)11-19(20)29(33)34)23-26(21)13-25-27(23)12-14-4-2-1-3-5-14/h1-11,13H,12H2