[2-[3,5-bis(hydroxymethyl)pyrazol-1-yl]-5-nitro-phenyl]-phenyl-methanone

Systemtic Name: [2-[3,5-bis(hydroxymethyl)pyrazol-1-yl]-5-nitro-phenyl]-phenyl-methanone Openeye Name: [2-[3,5-bis(hydroxymethyl)pyrazol-1-yl]-5-nitro-phenyl]-phenyl-methanone CAS Name: [2-[3,5-bis(hydroxymethyl)-1-pyrazolyl]-5-nitrophenyl]-phenylmethanone IUPAC Name: [2-[3,5-bis(hydroxymethyl)pyrazol-1-yl]-5-nitrophenyl]-phenylmethanone Traditional Name: [2-(3,5-dimethylolpyrazol-1-yl)-5-nitro-phenyl]-phenyl-methanone Formula: C18H15N3O5 MolecularWeight: 353.3288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3C(=CC(=N3)CO)CO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3C(=CC(=N3)CO)CO

InChI

InChI=1S/C18H15N3O5/c22-10-13-8-15(11-23)20(19-13)17-7-6-14(21(25)26)9-16(17)18(24)12-4-2-1-3-5-12/h1-9,22-23H,10-11H2