3-[4-(2-carboxyethyl)-3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[4-(2-carboxyethyl)-3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-yl]propanoic acid Openeye Name: 3-[4-(2-carboxyethyl)-3-methyl-5-oxo-1-phenyl-pyrazol-4-yl]propanoic acid CAS Name: 3-[4-(2-carboxyethyl)-3-methyl-5-oxo-1-phenyl-4-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(2-carboxyethyl)-3-methyl-5-oxo-1-phenylpyrazol-4-yl]propanoic acid Traditional Name: 3-[4-(2-carboxyethyl)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]propionic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1(CCC(=O)O)CCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=O)C1(CCC(=O)O)CCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2O5/c1-11-16(9-7-13(19)20,10-8-14(21)22)15(23)18(17-11)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,19,20)(H,21,22)