tert-butyl (E)-8-nitro-7-phenyl-oct-2-enoate

Systemtic Name: tert-butyl (E)-8-nitro-7-phenyl-oct-2-enoate Openeye Name: tert-butyl (E)-8-nitro-7-phenyl-oct-2-enoate CAS Name: (E)-8-nitro-7-phenyl-2-octenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-8-nitro-7-phenyloct-2-enoate Traditional Name: (E)-8-nitro-7-phenyl-oct-2-enoic acid tert-butyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4/c1-18(2,3)23-17(20)13-9-5-8-12-16(14-19(21)22)15-10-6-4-7-11-15/h4,6-7,9-11,13,16H,5,8,12,14H2,1-3H3/b13-9+