6-chloranyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylate

Systemtic Name: 6-chloranyl-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylate Openeye Name: 6-chloro-2-[3-(p-tolyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylate CAS Name: 6-chloro-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]-4-quinolinecarboxylate IUPAC Name: 6-chloro-2-[3-(4-methylphenyl)-2,1-benzoxazol-5-yl]quinoline-4-carboxylate Traditional Name: 6-chloro-2-[3-(p-tolyl)anthranil-5-yl]cinchoninate Formula: C24H14ClN2O3- MolecularWeight: 413.83256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C4=NC5=C(C=C(C=C5)Cl)C(=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C4=NC5=C(C=C(C=C5)Cl)C(=C4)C(=O)[O-]

InChI

InChI=1S/C24H15ClN2O3/c1-13-2-4-14(5-3-13)23-19-10-15(6-8-21(19)27-30-23)22-12-18(24(28)29)17-11-16(25)7-9-20(17)26-22/h2-12H,1H3,(H,28,29)/p-1