methyl (E)-8-(1,3-benzodioxol-5-yl)-6-methylidene-8-nitro-oct-2-enoate

Systemtic Name: methyl (E)-8-(1,3-benzodioxol-5-yl)-6-methylidene-8-nitro-oct-2-enoate Openeye Name: methyl (E)-8-(1,3-benzodioxol-5-yl)-6-methylene-8-nitro-oct-2-enoate CAS Name: (E)-8-(1,3-benzodioxol-5-yl)-6-methylene-8-nitro-2-octenoic acid methyl ester IUPAC Name: methyl (E)-8-(1,3-benzodioxol-5-yl)-6-methylidene-8-nitrooct-2-enoate Traditional Name: (2E)-6-[2-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]hepta-2,6-dienoic acid methyl ester Formula: C17H19NO6 MolecularWeight: 333.33586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO6/c1-12(5-3-4-6-17(19)22-2)9-14(18(20)21)13-7-8-15-16(10-13)24-11-23-15/h4,6-8,10,14H,1,3,5,9,11H2,2H3/b6-4+