ethyl 6-ethoxy-4-(3-methoxy-4-prop-2-enoxy-phenyl)-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate

Systemtic Name: ethyl 6-ethoxy-4-(3-methoxy-4-prop-2-enoxy-phenyl)-6-oxidanyl-3-oxidanylidene-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Openeye Name: ethyl 4-(4-allyloxy-3-methoxy-phenyl)-6-ethoxy-6-hydroxy-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate CAS Name: 6-ethoxy-6-hydroxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethoxy-6-hydroxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate Traditional Name: 4-(4-allyloxy-3-methoxy-phenyl)-6-ethoxy-6-hydroxy-3-keto-2,4,5,7-tetrahydro-1H-indazole-5-carboxylic acid ethyl ester Formula: C22H28N2O7 MolecularWeight: 432.46692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC1(O)OCC)NNC2=O)C3=CC(=C(C=C3)OCC=C)OC

Isomeric SMILES

CCOC(=O)C1C(C2=C(CC1(O)OCC)NNC2=O)C3=CC(=C(C=C3)OCC=C)OC

InChI

InChI=1S/C22H28N2O7/c1-5-10-30-15-9-8-13(11-16(15)28-4)17-18-14(23-24-20(18)25)12-22(27,31-7-3)19(17)21(26)29-6-2/h5,8-9,11,17,19,27H,1,6-7,10,12H2,2-4H3,(H2,23,24,25)