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

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(3-bromo-4-hydroxy-5-methoxy-phenyl)-(2-hydroxy-4-oxo-chromen-3-yl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(3-bromo-4-hydroxy-5-methoxyphenyl)-(2-hydroxy-4-oxo-1-benzopyran-3-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(3-bromo-4-hydroxy-5-methoxyphenyl)-(2-hydroxy-4-oxochromen-3-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(3-bromo-4-hydroxy-5-methoxy-phenyl)-(2-hydroxy-4-keto-chromen-3-yl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C28H23BrN2O6 MolecularWeight: 563.39602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=C(C(=C3)Br)O)OC)C4=C(OC5=CC=CC=C5C4=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=C(C(=C3)Br)O)OC)C4=C(OC5=CC=CC=C5C4=O)O

InChI

InChI=1S/C28H23BrN2O6/c1-15-22(27(34)31(30(15)2)17-9-5-4-6-10-17)23(16-13-19(29)26(33)21(14-16)36-3)24-25(32)18-11-7-8-12-20(18)37-28(24)35/h4-14,23,33,35H,1-3H3