[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone

Systemtic Name: [4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone Openeye Name: [4-(2-chloro-6-nitro-phenyl)piperazin-1-yl]-(3-isobutoxyphenyl)methanone CAS Name: [4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-[3-(2-methylpropoxy)phenyl]methanone IUPAC Name: [4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone Traditional Name: [4-(2-chloro-6-nitro-phenyl)piperazino]-(3-isobutoxyphenyl)methanone Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

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