3-[[5-(3-chloranyl-4-ethoxy-phenyl)-1H-pyrazol-4-yl]-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-2-oxidanyl-chromen-4-one

Systemtic Name: 3-[[5-(3-chloranyl-4-ethoxy-phenyl)-1H-pyrazol-4-yl]-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-2-oxidanyl-chromen-4-one Openeye Name: 3-[[5-(3-chloro-4-ethoxy-phenyl)-1H-pyrazol-4-yl]-(2-hydroxy-4-oxo-chromen-3-yl)methyl]-2-hydroxy-chromen-4-one CAS Name: 3-[[5-(3-chloro-4-ethoxyphenyl)-1H-pyrazol-4-yl]-(2-hydroxy-4-oxo-1-benzopyran-3-yl)methyl]-2-hydroxy-1-benzopyran-4-one IUPAC Name: 3-[[5-(3-chloro-4-ethoxyphenyl)-1H-pyrazol-4-yl]-(2-hydroxy-4-oxochromen-3-yl)methyl]-2-hydroxychromen-4-one Traditional Name: 3-[[5-(3-chloro-4-ethoxy-phenyl)-1H-pyrazol-4-yl]-(2-hydroxy-4-keto-chromen-3-yl)methyl]-2-hydroxy-chromone Formula: C30H21ClN2O7 MolecularWeight: 556.94994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C(C=NN2)C(C3=C(OC4=CC=CC=C4C3=O)O)C5=C(OC6=CC=CC=C6C5=O)O)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C(C=NN2)C(C3=C(OC4=CC=CC=C4C3=O)O)C5=C(OC6=CC=CC=C6C5=O)O)Cl

InChI

InChI=1S/C30H21ClN2O7/c1-2-38-22-12-11-15(13-19(22)31)26-18(14-32-33-26)23(24-27(34)16-7-3-5-9-20(16)39-29(24)36)25-28(35)17-8-4-6-10-21(17)40-30(25)37/h3-14,23,36-37H,2H2,1H3,(H,32,33)