4-azanyl-2-[(4-methylphenyl)amino]-3-oxidanylidene-pentanoic acid hydrobromide

Systemtic Name: 4-azanyl-2-[(4-methylphenyl)amino]-3-oxidanylidene-pentanoic acid hydrobromide Openeye Name: 4-amino-2-(4-methylanilino)-3-oxo-pentanoic acid hydrobromide CAS Name: 4-amino-2-(4-methylanilino)-3-oxopentanoic acid hydrobromide IUPAC Name: 4-amino-2-(4-methylanilino)-3-oxopentanoic acid hydrobromide Traditional Name: 4-amino-3-keto-2-(p-toluidino)valeric acid hydrobromide Formula: C12H17BrN2O3 MolecularWeight: 317.17898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(C(=O)C(C)N)C(=O)O.Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(C(=O)C(C)N)C(=O)O.Br

InChI

InChI=1S/C12H16N2O3.BrH/c1-7-3-5-9(6-4-7)14-10(12(16)17)11(15)8(2)13;/h3-6,8,10,14H,13H2,1-2H3,(H,16,17);1H