1-(1,3-benzodioxol-5-yl)-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(1,3-benzodioxol-5-yl)-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(1,3-benzodioxol-5-yl)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(1,3-benzodioxol-5-yl)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(1,3-benzodioxol-5-yl)-5-(3-methoxy-4-propargyloxy-benzylidene)barbituric acid Formula: C22H16N2O7 MolecularWeight: 420.37164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)OCC#C

InChI

InChI=1S/C22H16N2O7/c1-3-8-29-16-6-4-13(10-18(16)28-2)9-15-20(25)23-22(27)24(21(15)26)14-5-7-17-19(11-14)31-12-30-17/h1,4-7,9-11H,8,12H2,2H3,(H,23,25,27)