2-[4-[3-chloranyl-4-(hydroxymethyl)phenyl]piperazin-1-yl]-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[4-[3-chloranyl-4-(hydroxymethyl)phenyl]piperazin-1-yl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[4-[3-chloro-4-(hydroxymethyl)phenyl]piperazin-1-yl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[4-[3-chloro-4-(hydroxymethyl)phenyl]-1-piperazinyl]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[4-[3-chloro-4-(hydroxymethyl)phenyl]piperazin-1-yl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[4-(3-chloro-4-methylol-phenyl)piperazino]-1-(3-nitrophenyl)ethanone Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=C(C=C3)CO)Cl

Isomeric SMILES

C1CN(CCN1CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=C(C=C3)CO)Cl

InChI

InChI=1S/C19H20ClN3O4/c20-18-11-16(5-4-15(18)13-24)22-8-6-21(7-9-22)12-19(25)14-2-1-3-17(10-14)23(26)27/h1-5,10-11,24H,6-9,12-13H2