4-nitro-2-[(4-phenylpiperazin-1-yl)methyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[(4-phenylpiperazin-1-yl)methyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[(4-phenylpiperazin-1-yl)methyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[(4-phenyl-1-piperazinyl)methyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[(4-phenylpiperazin-1-yl)methyl]isoindole-1,3-dione Traditional Name: 4-nitro-2-[(4-phenylpiperazino)methyl]isoindoline-1,3-quinone Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4/c24-18-15-7-4-8-16(23(26)27)17(15)19(25)22(18)13-20-9-11-21(12-10-20)14-5-2-1-3-6-14/h1-8H,9-13H2