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

Systemtic Name: 2-[3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(4-chloro-2-nitro-phenyl)piperazino]-3-keto-propyl]isoindoline-1,3-quinone Formula: C21H19ClN4O5 MolecularWeight: 442.85236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19ClN4O5/c22-14-5-6-17(18(13-14)26(30)31)23-9-11-24(12-10-23)19(27)7-8-25-20(28)15-3-1-2-4-16(15)21(25)29/h1-6,13H,7-12H2