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

Systemtic Name: 2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C19H16ClN5O6 MolecularWeight: 445.81324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN5O6/c20-12-4-5-14(16(10-12)25(30)31)22-8-6-21(7-9-22)11-23-18(26)13-2-1-3-15(24(28)29)17(13)19(23)27/h1-5,10H,6-9,11H2