[5-(hydroxymethyl)-2-methyl-pyridin-3-yl] 4-nitrobenzoate

Systemtic Name: [5-(hydroxymethyl)-2-methyl-pyridin-3-yl] 4-nitrobenzoate Openeye Name: [5-(hydroxymethyl)-2-methyl-3-pyridyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-(hydroxymethyl)-2-methyl-3-pyridinyl] ester IUPAC Name: [5-(hydroxymethyl)-2-methylpyridin-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-methyl-5-methylol-3-pyridyl) ester Formula: C14H12N2O5 MolecularWeight: 288.25548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=N1)CO)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=N1)CO)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O5/c1-9-13(6-10(8-17)7-15-9)21-14(18)11-2-4-12(5-3-11)16(19)20/h2-7,17H,8H2,1H3