3-(2-azanyl-4,5-dimethyl-phenyl)-2-methyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-(2-azanyl-4,5-dimethyl-phenyl)-2-methyl-3-oxidanylidene-propanoic acid Openeye Name: 3-(2-amino-4,5-dimethyl-phenyl)-2-methyl-3-oxo-propanoic acid CAS Name: 3-(2-amino-4,5-dimethylphenyl)-2-methyl-3-oxopropanoic acid IUPAC Name: 3-(2-amino-4,5-dimethylphenyl)-2-methyl-3-oxopropanoic acid Traditional Name: 3-(2-amino-4,5-dimethyl-phenyl)-3-keto-2-methyl-propionic acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=O)C(C)C(=O)O)N)C

Isomeric SMILES

CC1=C(C=C(C(=C1)C(=O)C(C)C(=O)O)N)C

InChI

InChI=1S/C12H15NO3/c1-6-4-9(10(13)5-7(6)2)11(14)8(3)12(15)16/h4-5,8H,13H2,1-3H3,(H,15,16)