(E)-4-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]oxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]oxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]oxy-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-3-pyrazolyl]oxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]oxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]oxy-4-keto-but-2-enoic acid Formula: C14H14N4O4 MolecularWeight: 302.28536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)OC(=O)C=CC(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)OC(=O)/C=C/C(=O)O)C

InChI

InChI=1S/C14H14N4O4/c1-8-6-9(2)16-14(15-8)18-11(7-10(3)17-18)22-13(21)5-4-12(19)20/h4-7H,1-3H3,(H,19,20)/b5-4+