5-[4-(methoxymethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-[4-(methoxymethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxypropylidene)-5-[4-(methoxymethyl)-3-oxo-1,4-benzoxazin-6-yl]cyclohexane-1,3-dione CAS Name: 2-(1-hydroxypropylidene)-5-[4-(methoxymethyl)-3-oxo-1,4-benzoxazin-6-yl]cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxypropylidene)-5-[4-(methoxymethyl)-3-oxo-1,4-benzoxazin-6-yl]cyclohexane-1,3-dione Traditional Name: 2-(1-hydroxypropylidene)-5-[3-keto-4-(methoxymethyl)-1,4-benzoxazin-6-yl]cyclohexane-1,3-quinone Formula: C19H21NO6 MolecularWeight: 359.37314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=CC3=C(C=C2)OCC(=O)N3COC)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=CC3=C(C=C2)OCC(=O)N3COC)O

InChI

InChI=1S/C19H21NO6/c1-3-14(21)19-15(22)7-12(8-16(19)23)11-4-5-17-13(6-11)20(10-25-2)18(24)9-26-17/h4-6,12,21H,3,7-10H2,1-2H3