propan-2-yl 4,8-bis(oxidanyl)-7-oxidanylidene-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylate

Systemtic Name: propan-2-yl 4,8-bis(oxidanyl)-7-oxidanylidene-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylate Openeye Name: isopropyl 4,8-dihydroxy-7-oxo-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylate CAS Name: 4,8-dihydroxy-7-oxo-3-(1-phenyl-4-pyrazolyl)-5,6,8,8a-tetrahydro-1-benzopyran-2-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4,8-dihydroxy-7-oxo-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylate Traditional Name: 4,8-dihydroxy-7-keto-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylic acid isopropyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C(=C2CCC(=O)C(C2O1)O)O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC(=O)C1=C(C(=C2CCC(=O)C(C2O1)O)O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O6/c1-12(2)29-22(28)21-17(13-10-23-24(11-13)14-6-4-3-5-7-14)18(26)15-8-9-16(25)19(27)20(15)30-21/h3-7,10-12,19-20,26-27H,8-9H2,1-2H3