5-(3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxypropylidene)-5-(3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)cyclohexane-1,3-dione CAS Name: 2-(1-hydroxypropylidene)-5-(3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxypropylidene)-5-(3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)cyclohexane-1,3-dione Traditional Name: 2-(1-hydroxypropylidene)-5-(3-keto-4-propargyl-1,4-benzoxazin-6-yl)cyclohexane-1,3-quinone Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=CC3=C(C=C2)OCC(=O)N3CC#C)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=CC3=C(C=C2)OCC(=O)N3CC#C)O

InChI

InChI=1S/C20H19NO5/c1-3-7-21-14-8-12(5-6-18(14)26-11-19(21)25)13-9-16(23)20(15(22)4-2)17(24)10-13/h1,5-6,8,13,22H,4,7,9-11H2,2H3