4-[2-(5-bromanyl-2,4-diethoxy-phenyl)-2-oxidanylidene-ethyl]-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-[2-(5-bromanyl-2,4-diethoxy-phenyl)-2-oxidanylidene-ethyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[2-(5-bromo-2,4-diethoxy-phenyl)-2-oxo-ethyl]-1,4-benzoxazepine-3,5-dione CAS Name: 4-[2-(5-bromo-2,4-diethoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[2-(5-bromo-2,4-diethoxyphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[2-(5-bromo-2,4-diethoxy-phenyl)-2-keto-ethyl]-1,4-benzoxazepine-3,5-quinone Formula: C21H20BrNO6 MolecularWeight: 462.2906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C(=O)CN2C(=O)COC3=CC=CC=C3C2=O)Br)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1C(=O)CN2C(=O)COC3=CC=CC=C3C2=O)Br)OCC

InChI

InChI=1S/C21H20BrNO6/c1-3-27-18-10-19(28-4-2)15(22)9-14(18)16(24)11-23-20(25)12-29-17-8-6-5-7-13(17)21(23)26/h5-10H,3-4,11-12H2,1-2H3