(4-bromanyl-2-methyl-but-3-yn-2-yl) 4-azanylbenzoate

Systemtic Name: (4-bromanyl-2-methyl-but-3-yn-2-yl) 4-azanylbenzoate Openeye Name: (3-bromo-1,1-dimethyl-prop-2-ynyl) 4-aminobenzoate CAS Name: 4-aminobenzoic acid (4-bromo-2-methylbut-3-yn-2-yl) ester IUPAC Name: (4-bromo-2-methylbut-3-yn-2-yl) 4-aminobenzoate Traditional Name: 4-aminobenzoic acid (3-bromo-1,1-dimethyl-prop-2-ynyl) ester Formula: C12H12BrNO2 MolecularWeight: 282.13318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CBr)OC(=O)C1=CC=C(C=C1)N

Isomeric SMILES

CC(C)(C#CBr)OC(=O)C1=CC=C(C=C1)N

InChI

InChI=1S/C12H12BrNO2/c1-12(2,7-8-13)16-11(15)9-3-5-10(14)6-4-9/h3-6H,14H2,1-2H3