[(2E)-3,7-dimethylocta-2,6-dienyl] 4-nitrobenzoate

Systemtic Name: [(2E)-3,7-dimethylocta-2,6-dienyl] 4-nitrobenzoate Openeye Name: [(2E)-3,7-dimethylocta-2,6-dienyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester IUPAC Name: [(2E)-3,7-dimethylocta-2,6-dienyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=CCC/C(=C/COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])/C)C

InChI

InChI=1S/C17H21NO4/c1-13(2)5-4-6-14(3)11-12-22-17(19)15-7-9-16(10-8-15)18(20)21/h5,7-11H,4,6,12H2,1-3H3/b14-11+