[5-(hydroxymethyl)-4-methanoyl-pyridin-2-yl] 2,3-dimethylbenzoate

Systemtic Name: [5-(hydroxymethyl)-4-methanoyl-pyridin-2-yl] 2,3-dimethylbenzoate Openeye Name: [4-formyl-5-(hydroxymethyl)-2-pyridyl] 2,3-dimethylbenzoate CAS Name: 2,3-dimethylbenzoic acid [4-formyl-5-(hydroxymethyl)-2-pyridinyl] ester IUPAC Name: [4-formyl-5-(hydroxymethyl)pyridin-2-yl] 2,3-dimethylbenzoate Traditional Name: 2,3-dimethylbenzoic acid (4-formyl-5-methylol-2-pyridyl) ester Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)OC2=NC=C(C(=C2)C=O)CO

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)OC2=NC=C(C(=C2)C=O)CO

InChI

InChI=1S/C16H15NO4/c1-10-4-3-5-14(11(10)2)16(20)21-15-6-12(8-18)13(9-19)7-17-15/h3-8,19H,9H2,1-2H3