2-[4-[4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butyl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butyl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[4-(5-nitro-1,3-dioxo-isoindolin-2-yl)butyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[4-(5-nitro-1,3-dioxo-2-isoindolyl)butyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[4-(1,3-diketo-5-nitro-isoindolin-2-yl)butyl]piperazino]nicotinonitrile Formula: C22H22N6O4 MolecularWeight: 434.44788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=C(C=CC=N4)C#N

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=C(C=CC=N4)C#N

InChI

InChI=1S/C22H22N6O4/c23-15-16-4-3-7-24-20(16)26-12-10-25(11-13-26)8-1-2-9-27-21(29)18-6-5-17(28(31)32)14-19(18)22(27)30/h3-7,14H,1-2,8-13H2