4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methoxy-6-nitro-phenol

Systemtic Name: 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methoxy-6-nitro-phenol Openeye Name: 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methoxy-6-nitro-phenol CAS Name: 4-[[4-(4-chlorophenyl)-1-piperazinyl]methyl]-2-methoxy-6-nitrophenol IUPAC Name: 4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methoxy-6-nitrophenol Traditional Name: 4-[[4-(4-chlorophenyl)piperazino]methyl]-2-methoxy-6-nitro-phenol Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])CN2CCN(CC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])CN2CCN(CC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN3O4/c1-26-17-11-13(10-16(18(17)23)22(24)25)12-20-6-8-21(9-7-20)15-4-2-14(19)3-5-15/h2-5,10-11,23H,6-9,12H2,1H3