2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-nitro-phenol

Systemtic Name: 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-nitro-phenol Openeye Name: 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-nitro-phenol CAS Name: 2-[[4-(2-chlorophenyl)-1-piperazinyl]methyl]-4-nitrophenol IUPAC Name: 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-nitrophenol Traditional Name: 2-[[4-(2-chlorophenyl)piperazino]methyl]-4-nitro-phenol Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC(=C2)[N+](=O)[O-])O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC(=C2)[N+](=O)[O-])O)C3=CC=CC=C3Cl

InChI

InChI=1S/C17H18ClN3O3/c18-15-3-1-2-4-16(15)20-9-7-19(8-10-20)12-13-11-14(21(23)24)5-6-17(13)22/h1-6,11,22H,7-10,12H2