5-[2-oxidanylidene-2-(prop-2-ynylamino)ethoxy]-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[2-oxidanylidene-2-(prop-2-ynylamino)ethoxy]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-[2-oxo-2-(prop-2-ynylamino)ethoxy]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-[2-oxo-2-(prop-2-ynylamino)ethoxy]-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[2-oxo-2-(prop-2-ynylamino)ethoxy]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-[2-keto-2-(propargylamino)ethoxy]-1-phenyl-pyrazole-4-carboxylic acid Formula: C15H13N3O4 MolecularWeight: 299.28142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC1=C(C=NN1C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C#CCNC(=O)COC1=C(C=NN1C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H13N3O4/c1-2-8-16-13(19)10-22-14-12(15(20)21)9-17-18(14)11-6-4-3-5-7-11/h1,3-7,9H,8,10H2,(H,16,19)(H,20,21)