2-chloranyl-7-methyl-quinoline-3-carboxylic acid; 2-[(3-chlorophenyl)amino]-7-methyl-quinoline-3-carboxylic acid

Systemtic Name: 2-chloranyl-7-methyl-quinoline-3-carboxylic acid; 2-[(3-chlorophenyl)amino]-7-methyl-quinoline-3-carboxylic acid Openeye Name: 2-(3-chloroanilino)-7-methyl-quinoline-3-carboxylic acid; 2-chloro-7-methyl-quinoline-3-carboxylic acid CAS Name: 2-(3-chloroanilino)-7-methyl-3-quinolinecarboxylic acid; 2-chloro-7-methyl-3-quinolinecarboxylic acid IUPAC Name: 2-(3-chloroanilino)-7-methylquinoline-3-carboxylic acid; 2-chloro-7-methylquinoline-3-carboxylic acid Traditional Name: 2-(3-chloroanilino)-7-methyl-quinoline-3-carboxylic acid; 2-chloro-7-methyl-quinoline-3-carboxylic acid Formula: C28H21Cl2N3O4 MolecularWeight: 534.39004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C(=O)O)NC3=CC(=CC=C3)Cl.CC1=CC2=NC(=C(C=C2C=C1)C(=O)O)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C(=O)O)NC3=CC(=CC=C3)Cl.CC1=CC2=NC(=C(C=C2C=C1)C(=O)O)Cl

InChI

InChI=1S/C17H13ClN2O2.C11H8ClNO2/c1-10-5-6-11-8-14(17(21)22)16(20-15(11)7-10)19-13-4-2-3-12(18)9-13;1-6-2-3-7-5-8(11(14)15)10(12)13-9(7)4-6/h2-9H,1H3,(H,19,20)(H,21,22);2-5H,1H3,(H,14,15)