5-nitro-2-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C19H16N4O6S MolecularWeight: 428.41854

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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-])C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C19H16N4O6S/c24-16(20-5-7-21(8-6-20)19(27)15-2-1-9-30-15)11-22-17(25)13-4-3-12(23(28)29)10-14(13)18(22)26/h1-4,9-10H,5-8,11H2