4-(2-azanyl-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)benzoic acid

Systemtic Name: 4-(2-azanyl-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)benzoic acid Openeye Name: 4-(1-amino-1-carboxy-2-methyl-propyl)benzoic acid CAS Name: 4-(2-amino-1-hydroxy-3-methyl-1-oxobutan-2-yl)benzoic acid IUPAC Name: 4-(2-amino-1-hydroxy-3-methyl-1-oxobutan-2-yl)benzoic acid Traditional Name: 4-(1-amino-1-carboxy-2-methyl-propyl)benzoic acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)C(=O)O)(C(=O)O)N

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)C(=O)O)(C(=O)O)N

InChI

InChI=1S/C12H15NO4/c1-7(2)12(13,11(16)17)9-5-3-8(4-6-9)10(14)15/h3-7H,13H2,1-2H3,(H,14,15)(H,16,17)