(phenylmethyl) 4-(3-bromophenyl)-6-methyl-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate

Systemtic Name: (phenylmethyl) 4-(3-bromophenyl)-6-methyl-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: benzyl 4-(3-bromophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: 4-(3-bromophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-bromophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: 4-(3-bromophenyl)-6-hydroxy-3-keto-6-methyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid benzyl ester Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C1C(=O)OCC3=CC=CC=C3)C4=CC(=CC=C4)Br)C(=O)NN2)O

Isomeric SMILES

CC1(CC2=C(C(C1C(=O)OCC3=CC=CC=C3)C4=CC(=CC=C4)Br)C(=O)NN2)O

InChI

InChI=1S/C22H21BrN2O4/c1-22(28)11-16-18(20(26)25-24-16)17(14-8-5-9-15(23)10-14)19(22)21(27)29-12-13-6-3-2-4-7-13/h2-10,17,19,28H,11-12H2,1H3,(H2,24,25,26)