2-[4-(5-carboxylato-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-5-carboxylate

Systemtic Name: 2-[4-(5-carboxylato-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-5-carboxylate Openeye Name: 2-[4-(5-carboxylato-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-5-carboxylate CAS Name: 2-[4-(5-carboxylato-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-5-carboxylate IUPAC Name: 2-[4-(5-carboxylato-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-5-carboxylate Traditional Name: 2-[4-(5-carboxylato-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-5-carboxylate Formula: C22H10N2O6-2 MolecularWeight: 398.3246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)C(=O)[O-])C4=NC5=C(O4)C=CC(=C5)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)C(=O)[O-])C4=NC5=C(O4)C=CC(=C5)C(=O)[O-]

InChI

InChI=1S/C22H12N2O6/c25-21(26)13-5-7-17-15(9-13)23-19(29-17)11-1-2-12(4-3-11)20-24-16-10-14(22(27)28)6-8-18(16)30-20/h1-10H,(H,25,26)(H,27,28)/p-2