4-[2-(methylamino)-2-oxidanylidene-ethoxy]-1-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-[2-(methylamino)-2-oxidanylidene-ethoxy]-1-phenyl-pyrazole-3-carboxylic acid Openeye Name: 4-[2-(methylamino)-2-oxo-ethoxy]-1-phenyl-pyrazole-3-carboxylic acid CAS Name: 4-[2-(methylamino)-2-oxoethoxy]-1-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 4-[2-(methylamino)-2-oxoethoxy]-1-phenylpyrazole-3-carboxylic acid Traditional Name: 4-[2-keto-2-(methylamino)ethoxy]-1-phenyl-pyrazole-3-carboxylic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC1=CN(N=C1C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CNC(=O)COC1=CN(N=C1C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C13H13N3O4/c1-14-11(17)8-20-10-7-16(15-12(10)13(18)19)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,14,17)(H,18,19)