4-[1,3-benzodioxol-5-yl-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[1,3-benzodioxol-5-yl-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[1,3-benzodioxol-5-yl-(2-hydroxy-4-oxo-chromen-3-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[1,3-benzodioxol-5-yl-(2-hydroxy-4-oxo-1-benzopyran-3-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[1,3-benzodioxol-5-yl-(2-hydroxy-4-oxochromen-3-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[1,3-benzodioxol-5-yl-(2-hydroxy-4-keto-chromen-3-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C28H22N2O6 MolecularWeight: 482.48408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC4=C(C=C3)OCO4)C5=C(OC6=CC=CC=C6C5=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC4=C(C=C3)OCO4)C5=C(OC6=CC=CC=C6C5=O)O

InChI

InChI=1S/C28H22N2O6/c1-16-23(27(32)30(29(16)2)18-8-4-3-5-9-18)24(17-12-13-21-22(14-17)35-15-34-21)25-26(31)19-10-6-7-11-20(19)36-28(25)33/h3-14,24,33H,15H2,1-2H3