1-[(2S,3Z)-3-(3,3-dimethyl-2-oxidanylidene-butylidene)-2-oxidanyl-4H-1,4-benzoxazin-2-yl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[(2S,3Z)-3-(3,3-dimethyl-2-oxidanylidene-butylidene)-2-oxidanyl-4H-1,4-benzoxazin-2-yl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[(2S,3Z)-3-(3,3-dimethyl-2-oxo-butylidene)-2-hydroxy-4H-1,4-benzoxazin-2-yl]-3,3-dimethyl-butan-2-one CAS Name: 1-[(2S,3Z)-3-(3,3-dimethyl-2-oxobutylidene)-2-hydroxy-4H-1,4-benzoxazin-2-yl]-3,3-dimethyl-2-butanone IUPAC Name: 1-[(2S,3Z)-3-(3,3-dimethyl-2-oxobutylidene)-2-hydroxy-4H-1,4-benzoxazin-2-yl]-3,3-dimethylbutan-2-one Traditional Name: 1-[(2S,3Z)-2-hydroxy-3-(2-keto-3,3-dimethyl-butylidene)-4H-1,4-benzoxazin-2-yl]-3,3-dimethyl-butan-2-one Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC1(C(=CC(=O)C(C)(C)C)NC2=CC=CC=C2O1)O

Isomeric SMILES

CC(C)(C)C(=O)C[C@]1(/C(=C/C(=O)C(C)(C)C)/NC2=CC=CC=C2O1)O

InChI

InChI=1S/C20H27NO4/c1-18(2,3)16(22)11-15-20(24,12-17(23)19(4,5)6)25-14-10-8-7-9-13(14)21-15/h7-11,21,24H,12H2,1-6H3/b15-11-/t20-/m0/s1