methyl (2E,7E)-8-(1,3-benzodioxol-5-yl)-8-nitro-octa-2,7-dienoate

Systemtic Name: methyl (2E,7E)-8-(1,3-benzodioxol-5-yl)-8-nitro-octa-2,7-dienoate Openeye Name: methyl (2E,7E)-8-(1,3-benzodioxol-5-yl)-8-nitro-octa-2,7-dienoate CAS Name: (2E,7E)-8-(1,3-benzodioxol-5-yl)-8-nitroocta-2,7-dienoic acid methyl ester IUPAC Name: methyl (2E,7E)-8-(1,3-benzodioxol-5-yl)-8-nitroocta-2,7-dienoate Traditional Name: (2E,7E)-8-(1,3-benzodioxol-5-yl)-8-nitro-octa-2,7-dienoic acid methyl ester Formula: C16H17NO6 MolecularWeight: 319.30928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO6/c1-21-16(18)7-5-3-2-4-6-13(17(19)20)12-8-9-14-15(10-12)23-11-22-14/h5-10H,2-4,11H2,1H3/b7-5+,13-6+