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

Systemtic Name: 4-[2-(3-chloranyl-4-propan-2-yloxy-phenyl)-2-oxidanylidene-ethyl]-2-methyl-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[2-(3-chloro-4-isopropoxy-phenyl)-2-oxo-ethyl]-2-methyl-1,4-benzoxazepine-3,5-dione CAS Name: 4-[2-(3-chloro-4-propan-2-yloxyphenyl)-2-oxoethyl]-2-methyl-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[2-(3-chloro-4-propan-2-yloxyphenyl)-2-oxoethyl]-2-methyl-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[2-(3-chloro-4-isopropoxy-phenyl)-2-keto-ethyl]-2-methyl-1,4-benzoxazepine-3,5-quinone Formula: C21H20ClNO5 MolecularWeight: 401.8402

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO5/c1-12(2)27-19-9-8-14(10-16(19)22)17(24)11-23-20(25)13(3)28-18-7-5-4-6-15(18)21(23)26/h4-10,12-13H,11H2,1-3H3