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

Systemtic Name: 5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-1-(4-chlorophenyl)-6-oxidanyl-pyrimidine-2,4-dione Openeye Name: 5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-1-(4-chlorophenyl)-6-hydroxy-pyrimidine-2,4-dione CAS Name: 5-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4-dione IUPAC Name: 5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4-dione Traditional Name: 5-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-1-(4-chlorophenyl)-6-hydroxy-pyrimidine-2,4-quinone Formula: C20H13ClN2O6 MolecularWeight: 412.78002

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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)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClN2O6/c21-12-3-5-13(6-4-12)23-19(26)17(18(25)22-20(23)27)14(24)7-1-11-2-8-15-16(9-11)29-10-28-15/h1-9,26H,10H2,(H,22,25,27)/b7-1+