4-[(2-methylphenyl)amino]quinoline-3,6-dicarboxylic acid

Systemtic Name: 4-[(2-methylphenyl)amino]quinoline-3,6-dicarboxylic acid Openeye Name: 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid CAS Name: 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid IUPAC Name: 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid Traditional Name: 4-(o-toluidino)quinoline-3,6-dicarboxylic acid Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C3C=C(C=CC3=NC=C2C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC2=C3C=C(C=CC3=NC=C2C(=O)O)C(=O)O

InChI

InChI=1S/C18H14N2O4/c1-10-4-2-3-5-14(10)20-16-12-8-11(17(21)22)6-7-15(12)19-9-13(16)18(23)24/h2-9H,1H3,(H,19,20)(H,21,22)(H,23,24)