3-(benzotriazol-1-yl)-2-phenyl-quinoline-4-carboxylate

Systemtic Name: 3-(benzotriazol-1-yl)-2-phenyl-quinoline-4-carboxylate Openeye Name: 3-(benzotriazol-1-yl)-2-phenyl-quinoline-4-carboxylate CAS Name: 3-(1-benzotriazolyl)-2-phenyl-4-quinolinecarboxylate IUPAC Name: 3-(benzotriazol-1-yl)-2-phenylquinoline-4-carboxylate Traditional Name: 3-(benzotriazol-1-yl)-2-phenyl-cinchoninate Formula: C22H13N4O2- MolecularWeight: 365.36422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2N4C5=CC=CC=C5N=N4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2N4C5=CC=CC=C5N=N4)C(=O)[O-]

InChI

InChI=1S/C22H14N4O2/c27-22(28)19-15-10-4-5-11-16(15)23-20(14-8-2-1-3-9-14)21(19)26-18-13-7-6-12-17(18)24-25-26/h1-13H,(H,27,28)/p-1