(1-bromanyl-3-methyl-pent-1-yn-3-yl) 4-azanylbenzoate

Systemtic Name: (1-bromanyl-3-methyl-pent-1-yn-3-yl) 4-azanylbenzoate Openeye Name: (3-bromo-1-ethyl-1-methyl-prop-2-ynyl) 4-aminobenzoate CAS Name: 4-aminobenzoic acid (1-bromo-3-methylpent-1-yn-3-yl) ester IUPAC Name: (1-bromo-3-methylpent-1-yn-3-yl) 4-aminobenzoate Traditional Name: 4-aminobenzoic acid (3-bromo-1-ethyl-1-methyl-prop-2-ynyl) ester Formula: C13H14BrNO2 MolecularWeight: 296.15976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO2/c1-3-13(2,8-9-14)17-12(16)10-4-6-11(15)7-5-10/h4-7H,3,15H2,1-2H3