(4-ethynyl-2,6,6-trimethyl-octa-1,7-dien-4-yl) 4-nitrobenzoate

Systemtic Name: (4-ethynyl-2,6,6-trimethyl-octa-1,7-dien-4-yl) 4-nitrobenzoate Openeye Name: [1-ethynyl-3,3-dimethyl-1-(2-methylallyl)pent-4-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (4-ethynyl-2,6,6-trimethylocta-1,7-dien-4-yl) ester IUPAC Name: (4-ethynyl-2,6,6-trimethylocta-1,7-dien-4-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-ethynyl-3,3-dimethyl-1-(2-methylallyl)pent-4-enyl] ester Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4/c1-7-19(5,6)14-20(8-2,13-15(3)4)25-18(22)16-9-11-17(12-10-16)21(23)24/h2,7,9-12H,1,3,13-14H2,4-6H3