4-[(3S)-5-(furan-2-yl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3S)-5-(furan-2-yl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3S)-5-(2-furyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[(3S)-5-(2-furanyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[(3S)-5-(furan-2-yl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[(5S)-3-(2-furyl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C19H16N4O4 MolecularWeight: 364.35474

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CO2)C(=O)CCC(=O)O)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=CO2)C(=O)CCC(=O)O)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C19H16N4O4/c24-18(5-6-19(25)26)23-16(11-15(22-23)17-2-1-9-27-17)12-3-4-13-14(10-12)21-8-7-20-13/h1-4,7-10,16H,5-6,11H2,(H,25,26)/t16-/m0/s1