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

Systemtic Name: 2-butyl-5-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-butyl-5-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-butyl-5-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5/c1-2-3-8-26-21(29)17-6-4-15(13-18(17)22(26)30)20(28)25-11-9-24(10-12-25)16-5-7-19(23-14-16)27(31)32/h4-7,13-14H,2-3,8-12H2,1H3