2-[(5-cyano-4-methyl-6-oxidanylidene-1-prop-2-ynyl-pyridin-2-yl)carbonylamino]benzoic acid

Systemtic Name: 2-[(5-cyano-4-methyl-6-oxidanylidene-1-prop-2-ynyl-pyridin-2-yl)carbonylamino]benzoic acid Openeye Name: 2-[(5-cyano-4-methyl-6-oxo-1-prop-2-ynyl-pyridine-2-carbonyl)amino]benzoic acid CAS Name: 2-[[(5-cyano-4-methyl-6-oxo-1-prop-2-ynyl-2-pyridinyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[(5-cyano-4-methyl-6-oxo-1-prop-2-ynylpyridine-2-carbonyl)amino]benzoic acid Traditional Name: 2-[(5-cyano-6-keto-4-methyl-1-propargyl-picolinoyl)amino]benzoic acid Formula: C18H13N3O4 MolecularWeight: 335.31352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1)C(=O)NC2=CC=CC=C2C(=O)O)CC#C)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1)C(=O)NC2=CC=CC=C2C(=O)O)CC#C)C#N

InChI

InChI=1S/C18H13N3O4/c1-3-8-21-15(9-11(2)13(10-19)17(21)23)16(22)20-14-7-5-4-6-12(14)18(24)25/h1,4-7,9H,8H2,2H3,(H,20,22)(H,24,25)