2-[(4-methylphenyl)amino]quinoline-4-carboxylate

Systemtic Name: 2-[(4-methylphenyl)amino]quinoline-4-carboxylate Openeye Name: 2-(4-methylanilino)quinoline-4-carboxylate CAS Name: 2-(4-methylanilino)-4-quinolinecarboxylate IUPAC Name: 2-(4-methylanilino)quinoline-4-carboxylate Traditional Name: 2-(p-toluidino)cinchoninate Formula: C17H13N2O2- MolecularWeight: 277.29732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

InChI

InChI=1S/C17H14N2O2/c1-11-6-8-12(9-7-11)18-16-10-14(17(20)21)13-4-2-3-5-15(13)19-16/h2-10H,1H3,(H,18,19)(H,20,21)/p-1