4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-2-nitro-phenol

Systemtic Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-2-nitro-phenol Openeye Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-2-nitro-phenol CAS Name: 4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]methyl]-2-nitrophenol IUPAC Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-2-nitrophenol Traditional Name: 4-[[4-(2,5-dimethylphenyl)piperazino]methyl]-2-nitro-phenol Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3/c1-14-3-4-15(2)17(11-14)21-9-7-20(8-10-21)13-16-5-6-19(23)18(12-16)22(24)25/h3-6,11-12,23H,7-10,13H2,1-2H3