2-(3-phenyl-2,1-benzoxazol-5-yl)quinoline-4-carboxylate

Systemtic Name: 2-(3-phenyl-2,1-benzoxazol-5-yl)quinoline-4-carboxylate Openeye Name: 2-(3-phenyl-2,1-benzoxazol-5-yl)quinoline-4-carboxylate CAS Name: 2-(3-phenyl-2,1-benzoxazol-5-yl)-4-quinolinecarboxylate IUPAC Name: 2-(3-phenyl-2,1-benzoxazol-5-yl)quinoline-4-carboxylate Traditional Name: 2-(3-phenylanthranil-5-yl)cinchoninate Formula: C23H13N2O3- MolecularWeight: 365.36092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C4=NC5=CC=CC=C5C(=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C4=NC5=CC=CC=C5C(=C4)C(=O)[O-]

InChI

InChI=1S/C23H14N2O3/c26-23(27)17-13-21(24-19-9-5-4-8-16(17)19)15-10-11-20-18(12-15)22(28-25-20)14-6-2-1-3-7-14/h1-13H,(H,26,27)/p-1