2-[[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[4-(2,4-dichlorobenzoyl)piperazino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C20H16Cl2N4O5 MolecularWeight: 463.27084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H16Cl2N4O5/c21-12-1-3-15(17(22)9-12)18(27)24-7-5-23(6-8-24)11-25-19(28)14-4-2-13(26(30)31)10-16(14)20(25)29/h1-4,9-10H,5-8,11H2