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

Systemtic Name: 6,6-bis[3-(dimethylamino)phenyl]-1-[(E)-3-oxidanylideneprop-1-enyl]-7H-indazole-3-carboxylic acid Openeye Name: 6,6-bis[3-(dimethylamino)phenyl]-1-[(E)-3-oxoprop-1-enyl]-7H-indazole-3-carboxylic acid CAS Name: 6,6-bis[3-(dimethylamino)phenyl]-1-[(E)-3-oxoprop-1-enyl]-7H-indazole-3-carboxylic acid IUPAC Name: 6,6-bis[3-(dimethylamino)phenyl]-1-[(E)-3-oxoprop-1-enyl]-7H-indazole-3-carboxylic acid Traditional Name: 6,6-bis[3-(dimethylamino)phenyl]-1-[(E)-3-ketoprop-1-enyl]-7H-indazole-3-carboxylic acid Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)C2(CC3=C(C=C2)C(=NN3C=CC=O)C(=O)O)C4=CC(=CC=C4)N(C)C

Isomeric SMILES

CN(C)C1=CC=CC(=C1)C2(CC3=C(C=C2)C(=NN3/C=C/C=O)C(=O)O)C4=CC(=CC=C4)N(C)C

InChI

InChI=1S/C27H28N4O3/c1-29(2)21-10-5-8-19(16-21)27(20-9-6-11-22(17-20)30(3)4)13-12-23-24(18-27)31(14-7-15-32)28-25(23)26(33)34/h5-17H,18H2,1-4H3,(H,33,34)/b14-7+