(2Z)-5-bromanyl-2-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-3-one

Systemtic Name: (2Z)-5-bromanyl-2-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-2-[[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-bromo-benzofuran-3-one CAS Name: (2Z)-5-bromo-2-[[1-phenyl-3-(4-prop-2-enoxyphenyl)-4-pyrazolyl]methylidene]-3-benzofuranone IUPAC Name: (2Z)-5-bromo-2-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-2-[[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-bromo-coumaran-3-one Formula: C27H19BrN2O3 MolecularWeight: 499.35536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=C(O3)C=CC(=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)C4=C(O3)C=CC(=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C27H19BrN2O3/c1-2-14-32-22-11-8-18(9-12-22)26-19(17-30(29-26)21-6-4-3-5-7-21)15-25-27(31)23-16-20(28)10-13-24(23)33-25/h2-13,15-17H,1,14H2/b25-15-