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

Systemtic Name: 4-(2-azanyl-4,5-dimethyl-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-amino-4,5-dimethyl-phenyl)-4-oxo-butanoic acid CAS Name: 4-(2-amino-4,5-dimethylphenyl)-4-oxobutanoic acid IUPAC Name: 4-(2-amino-4,5-dimethylphenyl)-4-oxobutanoic acid Traditional Name: 4-(2-amino-4,5-dimethyl-phenyl)-4-keto-butyric acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/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)