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

Systemtic Name: (phenylmethyl) 6-methyl-4-(3-nitrophenyl)-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: benzyl 6-hydroxy-6-methyl-4-(3-nitrophenyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: 6-hydroxy-6-methyl-4-(3-nitrophenyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-hydroxy-6-methyl-4-(3-nitrophenyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: 6-hydroxy-3-keto-6-methyl-4-(3-nitrophenyl)-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid benzyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C1C(=O)OCC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)NN2)O

Isomeric SMILES

CC1(CC2=C(C(C1C(=O)OCC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)NN2)O

InChI

InChI=1S/C22H21N3O6/c1-22(28)11-16-18(20(26)24-23-16)17(14-8-5-9-15(10-14)25(29)30)19(22)21(27)31-12-13-6-3-2-4-7-13/h2-10,17,19,28H,11-12H2,1H3,(H2,23,24,26)