6-[(3-ethynylphenyl)carbamoyl]-2-methyl-pyridine-3-carboxylic acid

Systemtic Name: 6-[(3-ethynylphenyl)carbamoyl]-2-methyl-pyridine-3-carboxylic acid Openeye Name: 6-[(3-ethynylphenyl)carbamoyl]-2-methyl-pyridine-3-carboxylic acid CAS Name: 6-[(3-ethynylanilino)-oxomethyl]-2-methyl-3-pyridinecarboxylic acid IUPAC Name: 6-[(3-ethynylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid Traditional Name: 6-[(3-ethynylphenyl)carbamoyl]-2-methyl-nicotinic acid Formula: C16H12N2O3 MolecularWeight: 280.27808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C(=O)NC2=CC=CC(=C2)C#C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=N1)C(=O)NC2=CC=CC(=C2)C#C)C(=O)O

InChI

InChI=1S/C16H12N2O3/c1-3-11-5-4-6-12(9-11)18-15(19)14-8-7-13(16(20)21)10(2)17-14/h1,4-9H,2H3,(H,18,19)(H,20,21)