methyl 5-[5-[(E)-2-nitroethenyl]-2-oxidanyl-phenoxy]pentanoate

Systemtic Name: methyl 5-[5-[(E)-2-nitroethenyl]-2-oxidanyl-phenoxy]pentanoate Openeye Name: methyl 5-[2-hydroxy-5-[(E)-2-nitrovinyl]phenoxy]pentanoate CAS Name: 5-[2-hydroxy-5-[(E)-2-nitroethenyl]phenoxy]pentanoic acid methyl ester IUPAC Name: methyl 5-[2-hydroxy-5-[(E)-2-nitroethenyl]phenoxy]pentanoate Traditional Name: 5-[2-hydroxy-5-[(E)-2-nitrovinyl]phenoxy]valeric acid methyl ester Formula: C14H17NO6 MolecularWeight: 295.28788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCOC1=C(C=CC(=C1)C=C[N+](=O)[O-])O

Isomeric SMILES

COC(=O)CCCCOC1=C(C=CC(=C1)/C=C/[N+](=O)[O-])O

InChI

InChI=1S/C14H17NO6/c1-20-14(17)4-2-3-9-21-13-10-11(5-6-12(13)16)7-8-15(18)19/h5-8,10,16H,2-4,9H2,1H3/b8-7+