2-[[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]methyl]-4-nitro-phenol

Systemtic Name: 2-[[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]methyl]-4-nitro-phenol Openeye Name: 2-[[4-(3-chloro-4-methyl-phenyl)piperazin-1-yl]methyl]-4-nitro-phenol CAS Name: 2-[[4-(3-chloro-4-methylphenyl)-1-piperazinyl]methyl]-4-nitrophenol IUPAC Name: 2-[[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methyl]-4-nitrophenol Traditional Name: 2-[[4-(3-chloro-4-methyl-phenyl)piperazino]methyl]-4-nitro-phenol Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)CC3=C(C=CC(=C3)[N+](=O)[O-])O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)CC3=C(C=CC(=C3)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C18H20ClN3O3/c1-13-2-3-15(11-17(13)19)21-8-6-20(7-9-21)12-14-10-16(22(24)25)4-5-18(14)23/h2-5,10-11,23H,6-9,12H2,1H3