5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-6-oxidanyl-1-phenethyl-pyrimidine-2,4-dione

Systemtic Name: 5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-6-oxidanyl-1-phenethyl-pyrimidine-2,4-dione Openeye Name: 5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-6-hydroxy-1-phenethyl-pyrimidine-2,4-dione CAS Name: 5-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-6-hydroxy-1-phenethylpyrimidine-2,4-dione IUPAC Name: 5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-6-hydroxy-1-phenethylpyrimidine-2,4-dione Traditional Name: 5-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-6-hydroxy-1-phenethyl-pyrimidine-2,4-quinone Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=C(N(C(=O)NC3=O)CCC4=CC=CC=C4)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=C(N(C(=O)NC3=O)CCC4=CC=CC=C4)O

InChI

InChI=1S/C22H18N2O6/c25-16(8-6-15-7-9-17-18(12-15)30-13-29-17)19-20(26)23-22(28)24(21(19)27)11-10-14-4-2-1-3-5-14/h1-9,12,27H,10-11,13H2,(H,23,26,28)/b8-6+