methyl 6-[2,5-dimethoxy-4-[(E)-2-nitroprop-1-enyl]phenyl]hexanoate

Systemtic Name: methyl 6-[2,5-dimethoxy-4-[(E)-2-nitroprop-1-enyl]phenyl]hexanoate Openeye Name: methyl 6-[2,5-dimethoxy-4-[(E)-2-nitroprop-1-enyl]phenyl]hexanoate CAS Name: 6-[2,5-dimethoxy-4-[(E)-2-nitroprop-1-enyl]phenyl]hexanoic acid methyl ester IUPAC Name: methyl 6-[2,5-dimethoxy-4-[(E)-2-nitroprop-1-enyl]phenyl]hexanoate Traditional Name: 6-[2,5-dimethoxy-4-[(E)-2-nitroprop-1-enyl]phenyl]hexanoic acid methyl ester Formula: C18H25NO6 MolecularWeight: 351.3942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=C(C=C1OC)CCCCCC(=O)OC)OC)[N+](=O)[O-]

Isomeric SMILES

C/C(=C\C1=CC(=C(C=C1OC)CCCCCC(=O)OC)OC)/[N+](=O)[O-]

InChI

InChI=1S/C18H25NO6/c1-13(19(21)22)10-15-12-16(23-2)14(11-17(15)24-3)8-6-5-7-9-18(20)25-4/h10-12H,5-9H2,1-4H3/b13-10+