methyl 2-[4-nitro-3-(1-oxidanylbut-3-enyl)phenoxy]ethanoate

Systemtic Name: methyl 2-[4-nitro-3-(1-oxidanylbut-3-enyl)phenoxy]ethanoate Openeye Name: methyl 2-[3-(1-hydroxybut-3-enyl)-4-nitro-phenoxy]acetate CAS Name: 2-[3-(1-hydroxybut-3-enyl)-4-nitrophenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[3-(1-hydroxybut-3-enyl)-4-nitrophenoxy]acetate Traditional Name: 2-[3-(1-hydroxybut-3-enyl)-4-nitro-phenoxy]acetic acid methyl ester Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC(=C(C=C1)[N+](=O)[O-])C(CC=C)O

Isomeric SMILES

COC(=O)COC1=CC(=C(C=C1)[N+](=O)[O-])C(CC=C)O

InChI

InChI=1S/C13H15NO6/c1-3-4-12(15)10-7-9(20-8-13(16)19-2)5-6-11(10)14(17)18/h3,5-7,12,15H,1,4,8H2,2H3