2-[3-(1,2-dimethyl-3-oxidanylidene-5-quinoxalin-6-yl-pyrazol-4-yl)phenyl]ethanoic acid

Systemtic Name: 2-[3-(1,2-dimethyl-3-oxidanylidene-5-quinoxalin-6-yl-pyrazol-4-yl)phenyl]ethanoic acid Openeye Name: 2-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-yl-pyrazol-4-yl)phenyl]acetic acid CAS Name: 2-[3-[1,2-dimethyl-3-oxo-5-(6-quinoxalinyl)-4-pyrazolyl]phenyl]acetic acid IUPAC Name: 2-[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]acetic acid Traditional Name: 2-[3-(3-keto-1,2-dimethyl-5-quinoxalin-6-yl-3-pyrazolin-4-yl)phenyl]acetic acid Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C)C2=CC(=CC=C2)CC(=O)O)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

CN1C(=C(C(=O)N1C)C2=CC(=CC=C2)CC(=O)O)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C21H18N4O3/c1-24-20(15-6-7-16-17(12-15)23-9-8-22-16)19(21(28)25(24)2)14-5-3-4-13(10-14)11-18(26)27/h3-10,12H,11H2,1-2H3,(H,26,27)