[4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-3,5-dinitro-phenyl)methanone

Systemtic Name: [4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-3,5-dinitro-phenyl)methanone Openeye Name: [4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-3,5-dinitro-phenyl)methanone CAS Name: [4-(3-chlorophenyl)-1-piperazinyl]-(2-methyl-3,5-dinitrophenyl)methanone IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-3,5-dinitrophenyl)methanone Traditional Name: [4-(3-chlorophenyl)piperazino]-(2-methyl-3,5-dinitro-phenyl)methanone Formula: C18H17ClN4O5 MolecularWeight: 404.80438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

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