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

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

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