methyl 3-(2,2-dimethylpropanoyl)-9-oxidanyl-9-phenyl-pyrazolo[5,1-b][1,3]benzoxazine-2-carboxylate

Systemtic Name: methyl 3-(2,2-dimethylpropanoyl)-9-oxidanyl-9-phenyl-pyrazolo[5,1-b][1,3]benzoxazine-2-carboxylate Openeye Name: methyl 3-(2,2-dimethylpropanoyl)-9-hydroxy-9-phenyl-pyrazolo[5,1-b][1,3]benzoxazine-2-carboxylate CAS Name: 3-(2,2-dimethyl-1-oxopropyl)-9-hydroxy-9-phenyl-2-pyrazolo[5,1-b][1,3]benzoxazinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2,2-dimethylpropanoyl)-9-hydroxy-9-phenylpyrazolo[5,1-b][1,3]benzoxazine-2-carboxylate Traditional Name: 9-hydroxy-9-phenyl-3-pivaloyl-pyrazolo[5,1-b][1,3]benzoxazine-2-carboxylic acid methyl ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=C2N(C(C3=CC=CC=C3O2)(C4=CC=CC=C4)O)N=C1C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)C1=C2N(C(C3=CC=CC=C3O2)(C4=CC=CC=C4)O)N=C1C(=O)OC

InChI

InChI=1S/C23H22N2O5/c1-22(2,3)19(26)17-18(21(27)29-4)24-25-20(17)30-16-13-9-8-12-15(16)23(25,28)14-10-6-5-7-11-14/h5-13,28H,1-4H3