[(3S)-2-methylhex-5-en-3-yl] 4-nitrobenzoate

Systemtic Name: [(3S)-2-methylhex-5-en-3-yl] 4-nitrobenzoate Openeye Name: [(1S)-1-isopropylbut-3-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3S)-2-methylhex-5-en-3-yl] ester IUPAC Name: [(3S)-2-methylhex-5-en-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-1-isopropylbut-3-enyl] ester Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO4/c1-4-5-13(10(2)3)19-14(16)11-6-8-12(9-7-11)15(17)18/h4,6-10,13H,1,5H2,2-3H3/t13-/m0/s1