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

Systemtic Name: 1-[(E)-3-oxidanylideneprop-1-enyl]-6,6-dipyridin-3-yl-7H-indazole-3-carboxylic acid Openeye Name: 1-[(E)-3-oxoprop-1-enyl]-6,6-bis(3-pyridyl)-7H-indazole-3-carboxylic acid CAS Name: 1-[(E)-3-oxoprop-1-enyl]-6,6-bis(3-pyridinyl)-7H-indazole-3-carboxylic acid IUPAC Name: 1-[(E)-3-oxoprop-1-enyl]-6,6-dipyridin-3-yl-7H-indazole-3-carboxylic acid Traditional Name: 1-[(E)-3-ketoprop-1-enyl]-6,6-bis(3-pyridyl)-7H-indazole-3-carboxylic acid Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC1(C3=CN=CC=C3)C4=CN=CC=C4)C(=NN2C=CC=O)C(=O)O

Isomeric SMILES

C1C2=C(C=CC1(C3=CN=CC=C3)C4=CN=CC=C4)C(=NN2/C=C/C=O)C(=O)O

InChI

InChI=1S/C21H16N4O3/c26-11-3-10-25-18-12-21(15-4-1-8-22-13-15,16-5-2-9-23-14-16)7-6-17(18)19(24-25)20(27)28/h1-11,13-14H,12H2,(H,27,28)/b10-3+