methyl (E)-8-(1,3-benzodioxol-5-yl)-8-nitro-7-oxidanyl-oct-2-enoate

Systemtic Name: methyl (E)-8-(1,3-benzodioxol-5-yl)-8-nitro-7-oxidanyl-oct-2-enoate Openeye Name: methyl (E)-8-(1,3-benzodioxol-5-yl)-7-hydroxy-8-nitro-oct-2-enoate CAS Name: (E)-8-(1,3-benzodioxol-5-yl)-7-hydroxy-8-nitro-2-octenoic acid methyl ester IUPAC Name: methyl (E)-8-(1,3-benzodioxol-5-yl)-7-hydroxy-8-nitrooct-2-enoate Traditional Name: (E)-8-(1,3-benzodioxol-5-yl)-7-hydroxy-8-nitro-oct-2-enoic acid methyl ester Formula: C16H19NO7 MolecularWeight: 337.32456

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCCCC(C(C1=CC2=C(C=C1)OCO2)[N+](=O)[O-])O

Isomeric SMILES

COC(=O)/C=C/CCCC(C(C1=CC2=C(C=C1)OCO2)[N+](=O)[O-])O

InChI

InChI=1S/C16H19NO7/c1-22-15(19)6-4-2-3-5-12(18)16(17(20)21)11-7-8-13-14(9-11)24-10-23-13/h4,6-9,12,16,18H,2-3,5,10H2,1H3/b6-4+