(E)-4-[3-(furan-2-yl)-5-methyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[3-(furan-2-yl)-5-methyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[3-(2-furyl)-5-methyl-3,4-dihydropyrazol-2-yl]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[3-(2-furanyl)-5-methyl-3,4-dihydropyrazol-2-yl]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[3-(furan-2-yl)-5-methyl-3,4-dihydropyrazol-2-yl]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[5-(2-furyl)-3-methyl-2-pyrazolin-1-yl]-4-keto-but-2-enoic acid Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)C2=CC=CO2)C(=O)C=CC(=O)O

Isomeric SMILES

CC1=NN(C(C1)C2=CC=CO2)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H12N2O4/c1-8-7-9(10-3-2-6-18-10)14(13-8)11(15)4-5-12(16)17/h2-6,9H,7H2,1H3,(H,16,17)/b5-4+