2-[[1-azanyl-2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]-4-bromanyl-benzoic acid

Systemtic Name: 2-[[1-azanyl-2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]-4-bromanyl-benzoic acid Openeye Name: 2-[(1-amino-2-tert-butoxy-2-oxo-ethyl)amino]-4-bromo-benzoic acid CAS Name: 2-[[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4-bromobenzoic acid IUPAC Name: 2-[[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4-bromobenzoic acid Traditional Name: 2-[(1-amino-2-tert-butoxy-2-keto-ethyl)amino]-4-bromo-benzoic acid Formula: C13H17BrN2O4 MolecularWeight: 345.18908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(N)NC1=C(C=CC(=C1)Br)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C(N)NC1=C(C=CC(=C1)Br)C(=O)O

InChI

InChI=1S/C13H17BrN2O4/c1-13(2,3)20-12(19)10(15)16-9-6-7(14)4-5-8(9)11(17)18/h4-6,10,16H,15H2,1-3H3,(H,17,18)