propan-2-yl 7,8-bis(oxidanyl)-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)chromene-2-carboxylate

Systemtic Name: propan-2-yl 7,8-bis(oxidanyl)-4-oxidanylidene-3-(1-phenylpyrazol-4-yl)chromene-2-carboxylate Openeye Name: isopropyl 7,8-dihydroxy-4-oxo-3-(1-phenylpyrazol-4-yl)chromene-2-carboxylate CAS Name: 7,8-dihydroxy-4-oxo-3-(1-phenyl-4-pyrazolyl)-1-benzopyran-2-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 7,8-dihydroxy-4-oxo-3-(1-phenylpyrazol-4-yl)chromene-2-carboxylate Traditional Name: 7,8-dihydroxy-4-keto-3-(1-phenylpyrazol-4-yl)chromene-2-carboxylic acid isopropyl ester Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O6/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/h3-12,25,27H,1-2H3