1-[(E)-3-oxidanylideneprop-1-enyl]-6-phenyl-6-pyrimidin-4-yl-7H-indazole-3-carboxylic acid

Systemtic Name: 1-[(E)-3-oxidanylideneprop-1-enyl]-6-phenyl-6-pyrimidin-4-yl-7H-indazole-3-carboxylic acid Openeye Name: 1-[(E)-3-oxoprop-1-enyl]-6-phenyl-6-pyrimidin-4-yl-7H-indazole-3-carboxylic acid CAS Name: 1-[(E)-3-oxoprop-1-enyl]-6-phenyl-6-(4-pyrimidinyl)-7H-indazole-3-carboxylic acid IUPAC Name: 1-[(E)-3-oxoprop-1-enyl]-6-phenyl-6-pyrimidin-4-yl-7H-indazole-3-carboxylic acid Traditional Name: 1-[(E)-3-ketoprop-1-enyl]-6-phenyl-6-(4-pyrimidyl)-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=CC=CC=C3)C4=NC=NC=C4)C(=NN2C=CC=O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O3/c26-12-4-11-25-17-13-21(15-5-2-1-3-6-15,18-8-10-22-14-23-18)9-7-16(17)19(24-25)20(27)28/h1-12,14H,13H2,(H,27,28)/b11-4+