4-[3-(2,1,3-benzoxadiazol-5-yl)-4-methoxy-phenyl]benzoic acid

Systemtic Name: 4-[3-(2,1,3-benzoxadiazol-5-yl)-4-methoxy-phenyl]benzoic acid Openeye Name: 4-[3-(2,1,3-benzoxadiazol-5-yl)-4-methoxy-phenyl]benzoic acid CAS Name: 4-[3-(2,1,3-benzoxadiazol-5-yl)-4-methoxyphenyl]benzoic acid IUPAC Name: 4-[3-(2,1,3-benzoxadiazol-5-yl)-4-methoxyphenyl]benzoic acid Traditional Name: 4-(3-benzofurazan-5-yl-4-methoxy-phenyl)benzoic acid Formula: C20H14N2O4 MolecularWeight: 346.33616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)C3=CC4=NON=C4C=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)C3=CC4=NON=C4C=C3

InChI

InChI=1S/C20H14N2O4/c1-25-19-9-7-14(12-2-4-13(5-3-12)20(23)24)10-16(19)15-6-8-17-18(11-15)22-26-21-17/h2-11H,1H3,(H,23,24)