[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate

Systemtic Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 1H-indazole-3-carboxylate Openeye Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [2-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [2-keto-2-[4-(pivaloylamino)phenyl]ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=NNC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=NNC3=CC=CC=C32

InChI

InChI=1S/C21H21N3O4/c1-21(2,3)20(27)22-14-10-8-13(9-11-14)17(25)12-28-19(26)18-15-6-4-5-7-16(15)23-24-18/h4-11H,12H2,1-3H3,(H,22,27)(H,23,24)