methyl (4S,5R,6S)-4-(4-dimethylaminophenyl)-6-methyl-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate

Systemtic Name: methyl (4S,5R,6S)-4-(4-dimethylaminophenyl)-6-methyl-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: methyl (4S,5R,6S)-4-(4-dimethylaminophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: (4S,5R,6S)-4-(4-dimethylaminophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid methyl ester IUPAC Name: methyl (4S,5R,6S)-4-(4-dimethylaminophenyl)-6-hydroxy-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: (4S,5R,6S)-4-(4-dimethylaminophenyl)-6-hydroxy-3-keto-6-methyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid methyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C1C(=O)OC)C3=CC=C(C=C3)N(C)C)C(=O)NN2)O

Isomeric SMILES

C[C@@]1(CC2=C([C@@H]([C@H]1C(=O)OC)C3=CC=C(C=C3)N(C)C)C(=O)NN2)O

InChI

InChI=1S/C18H23N3O4/c1-18(24)9-12-14(16(22)20-19-12)13(15(18)17(23)25-4)10-5-7-11(8-6-10)21(2)3/h5-8,13,15,24H,9H2,1-4H3,(H2,19,20,22)/t13-,15-,18-/m0/s1