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

Systemtic Name: (E)-4-[(3S)-3-(furan-2-yl)-5-methyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[(3S)-3-(2-furyl)-5-methyl-3,4-dihydropyrazol-2-yl]-4-oxo-but-2-enoate CAS Name: (E)-4-[(3S)-3-(2-furanyl)-5-methyl-3,4-dihydropyrazol-2-yl]-4-oxo-2-butenoate IUPAC Name: (E)-4-[(3S)-3-(furan-2-yl)-5-methyl-3,4-dihydropyrazol-2-yl]-4-oxobut-2-enoate Traditional Name: (E)-4-[(5S)-5-(2-furyl)-3-methyl-2-pyrazolin-1-yl]-4-keto-but-2-enoate Formula: C12H11N2O4- MolecularWeight: 247.22674

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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@@H](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)/p-1/b5-4+/t9-/m0/s1