(E)-4-oxidanyl-2-oxidanylidene-4-[1-(phenylmethyl)pyrazol-4-yl]but-3-enoic acid

Systemtic Name: (E)-4-oxidanyl-2-oxidanylidene-4-[1-(phenylmethyl)pyrazol-4-yl]but-3-enoic acid Openeye Name: (E)-4-(1-benzylpyrazol-4-yl)-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-hydroxy-2-oxo-4-[1-(phenylmethyl)-4-pyrazolyl]-3-butenoic acid IUPAC Name: (E)-4-(1-benzylpyrazol-4-yl)-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-(1-benzylpyrazol-4-yl)-4-hydroxy-2-keto-but-3-enoic acid Formula: C14H12N2O4 MolecularWeight: 272.25608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C14H12N2O4/c17-12(6-13(18)14(19)20)11-7-15-16(9-11)8-10-4-2-1-3-5-10/h1-7,9,17H,8H2,(H,19,20)/b12-6+