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

Systemtic Name: 4-[2-(3-chloranyl-4-propan-2-yloxy-phenyl)-2-oxidanylidene-ethyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[2-(3-chloro-4-isopropoxy-phenyl)-2-oxo-ethyl]-1,4-benzoxazepine-3,5-dione CAS Name: 4-[2-(3-chloro-4-propan-2-yloxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[2-(3-chloro-4-propan-2-yloxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[2-(3-chloro-4-isopropoxy-phenyl)-2-keto-ethyl]-1,4-benzoxazepine-3,5-quinone Formula: C20H18ClNO5 MolecularWeight: 387.81362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)CN2C(=O)COC3=CC=CC=C3C2=O)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)CN2C(=O)COC3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C20H18ClNO5/c1-12(2)27-18-8-7-13(9-15(18)21)16(23)10-22-19(24)11-26-17-6-4-3-5-14(17)20(22)25/h3-9,12H,10-11H2,1-2H3