[(4R,5E)-hepta-1,5-dien-4-yl] 4-nitrobenzoate

Systemtic Name: [(4R,5E)-hepta-1,5-dien-4-yl] 4-nitrobenzoate Openeye Name: [(E,1R)-1-allylbut-2-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(4R,5E)-hepta-1,5-dien-4-yl] ester IUPAC Name: [(4R,5E)-hepta-1,5-dien-4-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E,1R)-1-allylbut-2-enyl] ester Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/[C@@H](CC=C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H15NO4/c1-3-5-13(6-4-2)19-14(16)11-7-9-12(10-8-11)15(17)18/h3-4,6-10,13H,1,5H2,2H3/b6-4+/t13-/m1/s1