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

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-4-(3,4-dimethylphenyl)butane-1,4-dione Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-4-(3,4-dimethylphenyl)butane-1,4-dione CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-4-(3,4-dimethylphenyl)butane-1,4-dione IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-4-(3,4-dimethylphenyl)butane-1,4-dione Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-4-(3,4-dimethylphenyl)butane-1,4-dione Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O4/c1-15-3-4-17(13-16(15)2)21(27)7-8-22(28)25-11-9-24(10-12-25)19-6-5-18(23)14-20(19)26(29)30/h3-6,13-14H,7-12H2,1-2H3