2-[4-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetyl]piperazino]sulfonylbenzonitrile Formula: C21H17N5O7S MolecularWeight: 483.45398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H17N5O7S/c22-12-14-3-1-2-4-18(14)34(32,33)24-9-7-23(8-10-24)19(27)13-25-20(28)16-6-5-15(26(30)31)11-17(16)21(25)29/h1-6,11H,7-10,13H2