2-(3-methoxycarbonyl-4-methyl-phenyl)carbonylpyridine-3-carboxylic acid

Systemtic Name: 2-(3-methoxycarbonyl-4-methyl-phenyl)carbonylpyridine-3-carboxylic acid Openeye Name: 2-(3-methoxycarbonyl-4-methyl-benzoyl)pyridine-3-carboxylic acid CAS Name: 2-[(3-methoxycarbonyl-4-methylphenyl)-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 2-(3-methoxycarbonyl-4-methylbenzoyl)pyridine-3-carboxylic acid Traditional Name: 2-(3-carbomethoxy-4-methyl-benzoyl)nicotinic acid Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=C(C=CC=N2)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=C(C=CC=N2)C(=O)O)C(=O)OC

InChI

InChI=1S/C16H13NO5/c1-9-5-6-10(8-12(9)16(21)22-2)14(18)13-11(15(19)20)4-3-7-17-13/h3-8H,1-2H3,(H,19,20)