4-azanyl-2-[2-methyl-1,1-bis(oxidanyl)butyl]benzoate

Systemtic Name: 4-azanyl-2-[2-methyl-1,1-bis(oxidanyl)butyl]benzoate Openeye Name: 4-amino-2-(1,1-dihydroxy-2-methyl-butyl)benzoate CAS Name: 4-amino-2-(1,1-dihydroxy-2-methylbutyl)benzoate IUPAC Name: 4-amino-2-(1,1-dihydroxy-2-methylbutyl)benzoate Traditional Name: 4-amino-2-(1,1-dihydroxy-2-methyl-butyl)benzoate Formula: C12H16NO4- MolecularWeight: 238.25974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=C(C=CC(=C1)N)C(=O)[O-])(O)O

Isomeric SMILES

CCC(C)C(C1=C(C=CC(=C1)N)C(=O)[O-])(O)O

InChI

InChI=1S/C12H17NO4/c1-3-7(2)12(16,17)10-6-8(13)4-5-9(10)11(14)15/h4-7,16-17H,3,13H2,1-2H3,(H,14,15)/p-1