methyl (E)-2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-oxidanylidene-oct-6-enoate

Systemtic Name: methyl (E)-2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-oxidanylidene-oct-6-enoate Openeye Name: methyl (E)-2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-oxo-oct-6-enoate CAS Name: (E)-2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-3-oxo-6-octenoic acid methyl ester IUPAC Name: methyl (E)-2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-3-oxooct-6-enoate Traditional Name: (E)-2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-keto-oct-6-enoic acid methyl ester Formula: C18H21NO7 MolecularWeight: 363.36184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO7/c1-3-4-5-6-14(20)17(18(21)24-2)13(10-19(22)23)12-7-8-15-16(9-12)26-11-25-15/h3-4,7-9,13,17H,5-6,10-11H2,1-2H3/b4-3+