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

Systemtic Name: ethyl (3aR,8bR)-8b-oxidanyl-4-oxidanylidene-3-phenyl-3aH-indeno[1,2-c]pyrazole-1-carboxylate Openeye Name: ethyl (3aR,8bR)-8b-hydroxy-4-oxo-3-phenyl-3aH-indeno[1,2-c]pyrazole-1-carboxylate CAS Name: (3aR,8bR)-8b-hydroxy-4-oxo-3-phenyl-3aH-indeno[1,2-c]pyrazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,8bR)-8b-hydroxy-4-oxo-3-phenyl-3aH-indeno[1,2-c]pyrazole-1-carboxylate Traditional Name: (3aR,8bR)-8b-hydroxy-4-keto-3-phenyl-3aH-indeno[1,2-c]pyrazole-1-carboxylic acid ethyl ester Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2(C(C(=N1)C3=CC=CC=C3)C(=O)C4=CC=CC=C42)O

Isomeric SMILES

CCOC(=O)N1[C@]2([C@@H](C(=N1)C3=CC=CC=C3)C(=O)C4=CC=CC=C42)O

InChI

InChI=1S/C19H16N2O4/c1-2-25-18(23)21-19(24)14-11-7-6-10-13(14)17(22)15(19)16(20-21)12-8-4-3-5-9-12/h3-11,15,24H,2H2,1H3/t15-,19-/m0/s1