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

Systemtic Name: ethyl 4-oxidanyl-7-oxidanylidene-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylate Openeye Name: ethyl 4-hydroxy-7-oxo-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylate CAS Name: 4-hydroxy-7-oxo-3-(1-phenyl-4-pyrazolyl)-5,6,8,8a-tetrahydro-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-7-oxo-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylate Traditional Name: 4-hydroxy-7-keto-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylic acid ethyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2CCC(=O)CC2O1)O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=C2CCC(=O)CC2O1)O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O5/c1-2-27-21(26)20-18(19(25)16-9-8-15(24)10-17(16)28-20)13-11-22-23(12-13)14-6-4-3-5-7-14/h3-7,11-12,17,25H,2,8-10H2,1H3