2-methyl-4-[2-oxidanylidene-2-(4-propan-2-yloxyphenyl)ethyl]-1,4-benzoxazepine-3,5-dione

Systemtic Name: 2-methyl-4-[2-oxidanylidene-2-(4-propan-2-yloxyphenyl)ethyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[2-(4-isopropoxyphenyl)-2-oxo-ethyl]-2-methyl-1,4-benzoxazepine-3,5-dione CAS Name: 2-methyl-4-[2-oxo-2-(4-propan-2-yloxyphenyl)ethyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 2-methyl-4-[2-oxo-2-(4-propan-2-yloxyphenyl)ethyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[2-(4-isopropoxyphenyl)-2-keto-ethyl]-2-methyl-1,4-benzoxazepine-3,5-quinone Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC=C(C=C3)OC(C)C

InChI

InChI=1S/C21H21NO5/c1-13(2)26-16-10-8-15(9-11-16)18(23)12-22-20(24)14(3)27-19-7-5-4-6-17(19)21(22)25/h4-11,13-14H,12H2,1-3H3