ethyl (4S,5R,6S)-2,6-dimethyl-6-oxidanyl-3-oxidanylidene-4-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylate

Systemtic Name: ethyl (4S,5R,6S)-2,6-dimethyl-6-oxidanyl-3-oxidanylidene-4-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylate Openeye Name: ethyl (4S,5R,6S)-6-hydroxy-2,6-dimethyl-3-oxo-4-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylate CAS Name: (4S,5R,6S)-6-hydroxy-2,6-dimethyl-3-oxo-4-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R,6S)-6-hydroxy-2,6-dimethyl-3-oxo-4-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylate Traditional Name: (4S,5R,6S)-6-hydroxy-3-keto-2,6-dimethyl-4-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylic acid ethyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC1(C)O)NN(C2=O)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](C2=C(C[C@]1(C)O)NN(C2=O)C)C3=CC=CC=C3

InChI

InChI=1S/C18H22N2O4/c1-4-24-17(22)15-13(11-8-6-5-7-9-11)14-12(10-18(15,2)23)19-20(3)16(14)21/h5-9,13,15,19,23H,4,10H2,1-3H3/t13-,15-,18-/m0/s1