2-(2-methylphenyl)-5-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(2-methylphenyl)-5-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 5-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]-2-(o-tolyl)isoindoline-1,3-dione CAS Name: 2-(2-methylphenyl)-5-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-(2-methylphenyl)-5-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 5-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]-2-(o-tolyl)isoindoline-1,3-quinone Formula: C25H21N5O5 MolecularWeight: 471.46474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C5=CN=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C5=CN=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H21N5O5/c1-16-4-2-3-5-21(16)29-24(32)19-8-6-17(14-20(19)25(29)33)23(31)28-12-10-27(11-13-28)18-7-9-22(26-15-18)30(34)35/h2-9,14-15H,10-13H2,1H3