2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-4,5-dimethyl-phenol

Systemtic Name: 2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-4,5-dimethyl-phenol Openeye Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-4,5-dimethyl-phenol CAS Name: 2-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methyl]-4,5-dimethylphenol IUPAC Name: 2-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-4,5-dimethylphenol Traditional Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazino]methyl]-4,5-dimethyl-phenol Formula: C19H22ClN3O3 MolecularWeight: 375.84928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)O)CN2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1C)O)CN2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H22ClN3O3/c1-13-9-15(19(24)10-14(13)2)12-21-5-7-22(8-6-21)17-4-3-16(20)11-18(17)23(25)26/h3-4,9-11,24H,5-8,12H2,1-2H3