ethyl 1-methyl-4-oxidanyl-3-oxidanylidene-2-phenyl-4,5,6,7-tetrahydroindazole-5-carboxylate

Systemtic Name: ethyl 1-methyl-4-oxidanyl-3-oxidanylidene-2-phenyl-4,5,6,7-tetrahydroindazole-5-carboxylate Openeye Name: ethyl 4-hydroxy-1-methyl-3-oxo-2-phenyl-4,5,6,7-tetrahydroindazole-5-carboxylate CAS Name: 4-hydroxy-1-methyl-3-oxo-2-phenyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-1-methyl-3-oxo-2-phenyl-4,5,6,7-tetrahydroindazole-5-carboxylate Traditional Name: 4-hydroxy-3-keto-1-methyl-2-phenyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid ethyl ester Formula: C17H20N2O4 MolecularWeight: 316.3517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC2=C(C1O)C(=O)N(N2C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCC2=C(C1O)C(=O)N(N2C)C3=CC=CC=C3

InChI

InChI=1S/C17H20N2O4/c1-3-23-17(22)12-9-10-13-14(15(12)20)16(21)19(18(13)2)11-7-5-4-6-8-11/h4-8,12,15,20H,3,9-10H2,1-2H3