1-(4-methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-4-(p-tolyl)butane-1,4-dione CAS Name: 1-(4-methylphenyl)-4-[4-(4-nitrophenyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-4-(p-tolyl)butane-1,4-dione Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4/c1-16-2-4-17(5-3-16)20(25)10-11-21(26)23-14-12-22(13-15-23)18-6-8-19(9-7-18)24(27)28/h2-9H,10-15H2,1H3