2-methyl-4,8-bis(oxidanyl)-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 2-methyl-4,8-bis(oxidanyl)-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 4,8-dihydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 4,8-dihydroxy-2-methyl-3-(1-phenyl-4-pyrazolyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 4,8-dihydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 4,8-dihydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)O)O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)O)O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H18N2O4/c1-11-16(12-9-20-21(10-12)13-5-3-2-4-6-13)17(23)14-7-8-15(22)18(24)19(14)25-11/h2-6,9-10,18-19,23-24H,7-8H2,1H3