ethyl (3aR,8bR)-3-tert-butyl-8b-oxidanyl-4-oxidanylidene-3aH-indeno[1,2-c]pyrazole-1-carboxylate

Systemtic Name: ethyl (3aR,8bR)-3-tert-butyl-8b-oxidanyl-4-oxidanylidene-3aH-indeno[1,2-c]pyrazole-1-carboxylate Openeye Name: ethyl (3aR,8bR)-3-tert-butyl-8b-hydroxy-4-oxo-3aH-indeno[1,2-c]pyrazole-1-carboxylate CAS Name: (3aR,8bR)-3-tert-butyl-8b-hydroxy-4-oxo-3aH-indeno[1,2-c]pyrazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,8bR)-3-tert-butyl-8b-hydroxy-4-oxo-3aH-indeno[1,2-c]pyrazole-1-carboxylate Traditional Name: (3aR,8bR)-3-tert-butyl-8b-hydroxy-4-keto-3aH-indeno[1,2-c]pyrazole-1-carboxylic acid ethyl ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2(C(C(=O)C3=CC=CC=C32)C(=N1)C(C)(C)C)O

Isomeric SMILES

CCOC(=O)N1[C@]2([C@H](C(=O)C3=CC=CC=C32)C(=N1)C(C)(C)C)O

InChI

InChI=1S/C17H20N2O4/c1-5-23-15(21)19-17(22)11-9-7-6-8-10(11)13(20)12(17)14(18-19)16(2,3)4/h6-9,12,22H,5H2,1-4H3/t12-,17+/m1/s1