(6-methyl-5-methylidene-hept-1-yn-3-yl) 4-nitrobenzoate

Systemtic Name: (6-methyl-5-methylidene-hept-1-yn-3-yl) 4-nitrobenzoate Openeye Name: (1-ethynyl-4-methyl-3-methylene-pentyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (6-methyl-5-methylenehept-1-yn-3-yl) ester IUPAC Name: (6-methyl-5-methylidenehept-1-yn-3-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (1-ethynyl-3-isopropyl-but-3-enyl) ester Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4/c1-5-15(10-12(4)11(2)3)21-16(18)13-6-8-14(9-7-13)17(19)20/h1,6-9,11,15H,4,10H2,2-3H3