4-[(Z)-(3-oxidanylidene-6-pyrimidin-2-yloxy-1-benzofuran-2-ylidene)methyl]benzoic acid

Systemtic Name: 4-[(Z)-(3-oxidanylidene-6-pyrimidin-2-yloxy-1-benzofuran-2-ylidene)methyl]benzoic acid Openeye Name: 4-[(Z)-(3-oxo-6-pyrimidin-2-yloxy-benzofuran-2-ylidene)methyl]benzoic acid CAS Name: 4-[(Z)-[3-oxo-6-(2-pyrimidinyloxy)-2-benzofuranylidene]methyl]benzoic acid IUPAC Name: 4-[(Z)-(3-oxo-6-pyrimidin-2-yloxy-1-benzofuran-2-ylidene)methyl]benzoic acid Traditional Name: 4-[(Z)-[3-keto-6-(2-pyrimidyloxy)coumaran-2-ylidene]methyl]benzoic acid Formula: C20H12N2O5 MolecularWeight: 360.31968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=C(C=C4)C(=O)O)O3

Isomeric SMILES

C1=CN=C(N=C1)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=C(C=C4)C(=O)O)/O3

InChI

InChI=1S/C20H12N2O5/c23-18-15-7-6-14(26-20-21-8-1-9-22-20)11-16(15)27-17(18)10-12-2-4-13(5-3-12)19(24)25/h1-11H,(H,24,25)/b17-10-