[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]-(3,5-dinitrophenyl)methanone

Systemtic Name: [4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]-(3,5-dinitrophenyl)methanone Openeye Name: [4-(3-chloro-4-methyl-phenyl)piperazin-1-yl]-(3,5-dinitrophenyl)methanone CAS Name: [4-(3-chloro-4-methylphenyl)-1-piperazinyl]-(3,5-dinitrophenyl)methanone IUPAC Name: [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(3,5-dinitrophenyl)methanone Traditional Name: [4-(3-chloro-4-methyl-phenyl)piperazino]-(3,5-dinitrophenyl)methanone Formula: C18H17ClN4O5 MolecularWeight: 404.80438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O5/c1-12-2-3-14(11-17(12)19)20-4-6-21(7-5-20)18(24)13-8-15(22(25)26)10-16(9-13)23(27)28/h2-3,8-11H,4-7H2,1H3