4-[2-(2-acetamido-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(2-acetamido-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(2-acetamido-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoic acid CAS Name: 4-[2-(2-acetamido-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(2-acetamido-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(2-acetamido-4-keto-1H-pyrido[2,3-d]pyrimidin-6-yl)ethynyl]benzoic acid Formula: C18H12N4O4 MolecularWeight: 348.31228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H12N4O4/c1-10(23)20-18-21-15-14(16(24)22-18)8-12(9-19-15)3-2-11-4-6-13(7-5-11)17(25)26/h4-9H,1H3,(H,25,26)(H2,19,20,21,22,23,24)