4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-2-propyl-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-2-propyl-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]-2-propyl-1,4-benzoxazepine-3,5-dione CAS Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-2-propyl-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-2-propyl-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]-2-propyl-1,4-benzoxazepine-3,5-quinone Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCCC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H21NO6/c1-2-5-19-22(26)23(21(25)15-6-3-4-7-17(15)29-19)13-16(24)14-8-9-18-20(12-14)28-11-10-27-18/h3-4,6-9,12,19H,2,5,10-11,13H2,1H3