4-[(5-chloranyl-2-methoxy-phenyl)amino]-4-oxidanylidene-2-(propylazaniumyl)butanoate

Systemtic Name: 4-[(5-chloranyl-2-methoxy-phenyl)amino]-4-oxidanylidene-2-(propylazaniumyl)butanoate Openeye Name: 4-(5-chloro-2-methoxy-anilino)-4-oxo-2-(propylammonio)butanoate CAS Name: 4-(5-chloro-2-methoxyanilino)-4-oxo-2-(propylammonio)butanoate IUPAC Name: 4-(5-chloro-2-methoxyanilino)-4-oxo-2-(propylazaniumyl)butanoate Traditional Name: 4-(5-chloro-2-methoxy-anilino)-4-keto-2-(propylammonio)butyrate Formula: C14H19ClN2O4 MolecularWeight: 314.76466

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]C(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)[O-]

Isomeric SMILES

CCC[NH2+]C(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)[O-]

InChI

InChI=1S/C14H19ClN2O4/c1-3-6-16-11(14(19)20)8-13(18)17-10-7-9(15)4-5-12(10)21-2/h4-5,7,11,16H,3,6,8H2,1-2H3,(H,17,18)(H,19,20)