[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(2-methylphenyl)methanone

Systemtic Name: [4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(2-methylphenyl)methanone Openeye Name: [4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-(o-tolyl)methanone CAS Name: [4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-(2-methylphenyl)methanone IUPAC Name: [4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-(2-methylphenyl)methanone Traditional Name: [4-(4-chloro-2-nitro-phenyl)piperazino]-(o-tolyl)methanone Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O3/c1-13-4-2-3-5-15(13)18(23)21-10-8-20(9-11-21)16-7-6-14(19)12-17(16)22(24)25/h2-7,12H,8-11H2,1H3