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

Systemtic Name: (4-bromanyl-2-methyl-but-3-yn-2-yl) 4-nitrobenzoate Openeye Name: (3-bromo-1,1-dimethyl-prop-2-ynyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (4-bromo-2-methylbut-3-yn-2-yl) ester IUPAC Name: (4-bromo-2-methylbut-3-yn-2-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3-bromo-1,1-dimethyl-prop-2-ynyl) ester Formula: C12H10BrNO4 MolecularWeight: 312.1161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CBr)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C#CBr)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H10BrNO4/c1-12(2,7-8-13)18-11(15)9-3-5-10(6-4-9)14(16)17/h3-6H,1-2H3