2,2-dimethylpropanoyl 6-chloranyl-4-methyl-2-phenyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate

Systemtic Name: 2,2-dimethylpropanoyl 6-chloranyl-4-methyl-2-phenyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate Openeye Name: 2,2-dimethylpropanoyl 6-chloro-4-methyl-2-phenyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate CAS Name: 6-chloro-4-methyl-2-phenyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid (2,2-dimethyl-1-oxopropyl) ester IUPAC Name: 2,2-dimethylpropanoyl 6-chloro-4-methyl-2-phenyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate Traditional Name: 6-chloro-4-methyl-2-phenyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid pivaloyl ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC(=O)C1=CC(=CC2=C1OC(CN2C)C3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)C(=O)OC(=O)C1=CC(=CC2=C1OC(CN2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H22ClNO4/c1-21(2,3)20(25)27-19(24)15-10-14(22)11-16-18(15)26-17(12-23(16)4)13-8-6-5-7-9-13/h5-11,17H,12H2,1-4H3