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

Systemtic Name: (E)-4-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-hydroxy-4-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-oxo-but-3-enoic acid CAS Name: (E)-4-hydroxy-4-[1-[(4-methoxyphenyl)methyl]-3-pyrazolyl]-2-oxo-3-butenoic acid IUPAC Name: (E)-4-hydroxy-4-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-oxobut-3-enoic acid Traditional Name: (E)-4-hydroxy-2-keto-4-(1-p-anisylpyrazol-3-yl)but-3-enoic acid Formula: C15H14N2O5 MolecularWeight: 302.28206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=CC(=N2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=CC(=N2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C15H14N2O5/c1-22-11-4-2-10(3-5-11)9-17-7-6-12(16-17)13(18)8-14(19)15(20)21/h2-8,18H,9H2,1H3,(H,20,21)/b13-8+