2,6-bis(azanyl)hexanoate; 2-[(3-chloranyl-2-methyl-phenyl)amino]pyridine-3-carboxylic acid

Systemtic Name: 2,6-bis(azanyl)hexanoate; 2-[(3-chloranyl-2-methyl-phenyl)amino]pyridine-3-carboxylic acid Openeye Name: 2-(3-chloro-2-methyl-anilino)pyridine-3-carboxylic acid; 2,6-diaminohexanoate CAS Name: 2-(3-chloro-2-methylanilino)-3-pyridinecarboxylic acid; 2,6-diaminohexanoate IUPAC Name: 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid; 2,6-diaminohexanoate Traditional Name: 2-(3-chloro-2-methyl-anilino)nicotinic acid; 2,6-diaminohexanoate Formula: C19H24ClN4O4- MolecularWeight: 407.87126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)O.C(CCN)CC(C(=O)[O-])N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)O.C(CCN)CC(C(=O)[O-])N

InChI

InChI=1S/C13H11ClN2O2.C6H14N2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12;7-4-2-1-3-5(8)6(9)10/h2-7H,1H3,(H,15,16)(H,17,18);5H,1-4,7-8H2,(H,9,10)/p-1