4-[4-bromanyl-2,3-bis(4-hydroxyphenyl)-1H-pyrazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-bromanyl-2,3-bis(4-hydroxyphenyl)-1H-pyrazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-bromo-2,3-bis(4-hydroxyphenyl)-1H-pyrazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-bromo-2,3-bis(4-hydroxyphenyl)-1H-pyrazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-bromo-2,3-bis(4-hydroxyphenyl)-1H-pyrazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-bromo-1,5-bis(4-hydroxyphenyl)-3-pyrazolin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C21H15BrN2O3 MolecularWeight: 423.2594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2C(=C(N(N2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)Br

Isomeric SMILES

C1=CC(=O)C=CC1=C2C(=C(N(N2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)Br

InChI

InChI=1S/C21H15BrN2O3/c22-19-20(13-1-7-16(25)8-2-13)23-24(15-5-11-18(27)12-6-15)21(19)14-3-9-17(26)10-4-14/h1-12,23,26-27H