4-[4-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-3-nitro-phenyl]morpholine-3,5-dione

Systemtic Name: 4-[4-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-3-nitro-phenyl]morpholine-3,5-dione Openeye Name: 4-[4-[3-methyl-4-(p-tolyl)piperazin-1-yl]-3-nitro-phenyl]morpholine-3,5-dione CAS Name: 4-[4-[3-methyl-4-(4-methylphenyl)-1-piperazinyl]-3-nitrophenyl]morpholine-3,5-dione IUPAC Name: 4-[4-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-3-nitrophenyl]morpholine-3,5-dione Traditional Name: 4-[4-[3-methyl-4-(p-tolyl)piperazino]-3-nitro-phenyl]morpholine-3,5-quinone Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)C3=C(C=C(C=C3)N4C(=O)COCC4=O)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)C3=C(C=C(C=C3)N4C(=O)COCC4=O)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O5/c1-15-3-5-17(6-4-15)24-10-9-23(12-16(24)2)19-8-7-18(11-20(19)26(29)30)25-21(27)13-31-14-22(25)28/h3-8,11,16H,9-10,12-14H2,1-2H3