2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl ethanoate

Systemtic Name: 2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl ethanoate Openeye Name: 2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl acetate CAS Name: acetic acid 2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl ester IUPAC Name: 2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl acetate Traditional Name: acetic acid 2-[3-nitro-4-[(E)-oct-1-enyl]phenyl]ethyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC1=C(C=C(C=C1)CCOC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCC/C=C/C1=C(C=C(C=C1)CCOC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H25NO4/c1-3-4-5-6-7-8-9-17-11-10-16(12-13-23-15(2)20)14-18(17)19(21)22/h8-11,14H,3-7,12-13H2,1-2H3/b9-8+