[(4S)-hept-1-en-4-yl] 4-nitrobenzoate

Systemtic Name: [(4S)-hept-1-en-4-yl] 4-nitrobenzoate Openeye Name: [(1S)-1-propylbut-3-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(4S)-hept-1-en-4-yl] ester IUPAC Name: [(4S)-hept-1-en-4-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-1-propylbut-3-enyl] ester Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO4/c1-3-5-13(6-4-2)19-14(16)11-7-9-12(10-8-11)15(17)18/h3,7-10,13H,1,4-6H2,2H3/t13-/m1/s1