2,7-dimethyloct-7-en-5-yn-4-yl 4-nitrobenzoate

Systemtic Name: 2,7-dimethyloct-7-en-5-yn-4-yl 4-nitrobenzoate Openeye Name: (1-isobutyl-4-methyl-pent-4-en-2-ynyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2,7-dimethyloct-7-en-5-yn-4-yl ester IUPAC Name: 2,7-dimethyloct-7-en-5-yn-4-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4/c1-12(2)5-10-16(11-13(3)4)22-17(19)14-6-8-15(9-7-14)18(20)21/h6-9,13,16H,1,11H2,2-4H3