[5-(hydroxymethyl)-4-methanoyl-pyridin-3-yl] 3-methylbenzoate

Systemtic Name: [5-(hydroxymethyl)-4-methanoyl-pyridin-3-yl] 3-methylbenzoate Openeye Name: [4-formyl-5-(hydroxymethyl)-3-pyridyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-formyl-5-(hydroxymethyl)-3-pyridinyl] ester IUPAC Name: [4-formyl-5-(hydroxymethyl)pyridin-3-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (4-formyl-5-methylol-3-pyridyl) ester Formula: C15H13NO4 MolecularWeight: 271.26802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C(=CN=C2)CO)C=O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C(=CN=C2)CO)C=O

InChI

InChI=1S/C15H13NO4/c1-10-3-2-4-11(5-10)15(19)20-14-7-16-6-12(8-17)13(14)9-18/h2-7,9,17H,8H2,1H3