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

Systemtic Name: [4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-[4-(2-methylpropoxy)phenyl]methanone Openeye Name: [4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-(4-isobutoxyphenyl)methanone CAS Name: [4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-[4-(2-methylpropoxy)phenyl]methanone IUPAC Name: [4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-[4-(2-methylpropoxy)phenyl]methanone Traditional Name: [4-(4-chloro-2-nitro-phenyl)piperazino]-(4-isobutoxyphenyl)methanone Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN3O4/c1-15(2)14-29-18-6-3-16(4-7-18)21(26)24-11-9-23(10-12-24)19-8-5-17(22)13-20(19)25(27)28/h3-8,13,15H,9-12,14H2,1-2H3