4-(2-azanyl-4,5-dimethyl-phenyl)-4-oxidanylidene-butanoic acid hydrate hydrochloride

Systemtic Name: 4-(2-azanyl-4,5-dimethyl-phenyl)-4-oxidanylidene-butanoic acid hydrate hydrochloride Openeye Name: 4-(2-amino-4,5-dimethyl-phenyl)-4-oxo-butanoic acid hydrate hydrochloride CAS Name: 4-(2-amino-4,5-dimethylphenyl)-4-oxobutanoic acid hydrate hydrochloride IUPAC Name: 4-(2-amino-4,5-dimethylphenyl)-4-oxobutanoic acid hydrate hydrochloride Traditional Name: 4-(2-amino-4,5-dimethyl-phenyl)-4-keto-butyric acid hydrate hydrochloride Formula: C12H18ClNO4 MolecularWeight: 275.72862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=O)CCC(=O)O)N)C.O.Cl

Isomeric SMILES

CC1=C(C=C(C(=C1)C(=O)CCC(=O)O)N)C.O.Cl

InChI

InChI=1S/C12H15NO3.ClH.H2O/c1-7-5-9(10(13)6-8(7)2)11(14)3-4-12(15)16;;/h5-6H,3-4,13H2,1-2H3,(H,15,16);1H;1H2