[4-[3-(hydroxymethyl)piperidin-1-yl]-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-[3-(hydroxymethyl)piperidin-1-yl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[3-(hydroxymethyl)-1-piperidyl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[3-(hydroxymethyl)-1-piperidinyl]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[3-(hydroxymethyl)piperidin-1-yl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-(3-methylolpiperidino)-3-nitro-phenyl]-phenyl-methanone Formula: C19H20N2O4 MolecularWeight: 340.3731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])CO

Isomeric SMILES

C1CC(CN(C1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])CO

InChI

InChI=1S/C19H20N2O4/c22-13-14-5-4-10-20(12-14)17-9-8-16(11-18(17)21(24)25)19(23)15-6-2-1-3-7-15/h1-3,6-9,11,14,22H,4-5,10,12-13H2