2-[4-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(4-chloro-2-nitro-phenyl)piperazino]-4-keto-butyl]isoindoline-1,3-quinone Formula: C22H21ClN4O5 MolecularWeight: 456.87894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21ClN4O5/c23-15-7-8-18(19(14-15)27(31)32)24-10-12-25(13-11-24)20(28)6-3-9-26-21(29)16-4-1-2-5-17(16)22(26)30/h1-2,4-5,7-8,14H,3,6,9-13H2