2-methyloct-5-yn-4-yl 4-nitrobenzoate

Systemtic Name: 2-methyloct-5-yn-4-yl 4-nitrobenzoate Openeye Name: 1-isobutylpent-2-ynyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-methyloct-5-yn-4-yl ester IUPAC Name: 2-methyloct-5-yn-4-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 1-isobutylpent-2-ynyl ester Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4/c1-4-5-6-15(11-12(2)3)21-16(18)13-7-9-14(10-8-13)17(19)20/h7-10,12,15H,4,11H2,1-3H3