6,6-bis(3-methoxyphenyl)-1-[(E)-3-oxidanylideneprop-1-enyl]-7H-indazole-3-carboxylic acid

Systemtic Name: 6,6-bis(3-methoxyphenyl)-1-[(E)-3-oxidanylideneprop-1-enyl]-7H-indazole-3-carboxylic acid Openeye Name: 6,6-bis(3-methoxyphenyl)-1-[(E)-3-oxoprop-1-enyl]-7H-indazole-3-carboxylic acid CAS Name: 6,6-bis(3-methoxyphenyl)-1-[(E)-3-oxoprop-1-enyl]-7H-indazole-3-carboxylic acid IUPAC Name: 6,6-bis(3-methoxyphenyl)-1-[(E)-3-oxoprop-1-enyl]-7H-indazole-3-carboxylic acid Traditional Name: 1-[(E)-3-ketoprop-1-enyl]-6,6-bis(3-methoxyphenyl)-7H-indazole-3-carboxylic acid Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CC3=C(C=C2)C(=NN3C=CC=O)C(=O)O)C4=CC(=CC=C4)OC

Isomeric SMILES

COC1=CC=CC(=C1)C2(CC3=C(C=C2)C(=NN3/C=C/C=O)C(=O)O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H22N2O5/c1-31-19-8-3-6-17(14-19)25(18-7-4-9-20(15-18)32-2)11-10-21-22(16-25)27(12-5-13-28)26-23(21)24(29)30/h3-15H,16H2,1-2H3,(H,29,30)/b12-5+