O1-ethyl O5-methyl 2-ethanoyl-4-methylidene-3-(4-nitro-1,3-benzodioxol-5-yl)pentanedioate

Systemtic Name: O1-ethyl O5-methyl 2-ethanoyl-4-methylidene-3-(4-nitro-1,3-benzodioxol-5-yl)pentanedioate Openeye Name: O1-ethyl O5-methyl 2-acetyl-4-methylene-3-(4-nitro-1,3-benzodioxol-5-yl)pentanedioate CAS Name: 2-acetyl-4-methylene-3-(4-nitro-1,3-benzodioxol-5-yl)pentanedioic acid O1-ethyl ester O5-methyl ester IUPAC Name: 1-O-ethyl 5-O-methyl 2-acetyl-4-methylidene-3-(4-nitro-1,3-benzodioxol-5-yl)pentanedioate Traditional Name: 2-acetyl-4-methylene-3-(4-nitro-1,3-benzodioxol-5-yl)glutaric acid O1-ethyl ester O5-methyl ester Formula: C18H19NO9 MolecularWeight: 393.34476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=C(C2=C(C=C1)OCO2)[N+](=O)[O-])C(=C)C(=O)OC)C(=O)C

Isomeric SMILES

CCOC(=O)C(C(C1=C(C2=C(C=C1)OCO2)[N+](=O)[O-])C(=C)C(=O)OC)C(=O)C

InChI

InChI=1S/C18H19NO9/c1-5-26-18(22)14(10(3)20)13(9(2)17(21)25-4)11-6-7-12-16(28-8-27-12)15(11)19(23)24/h6-7,13-14H,2,5,8H2,1,3-4H3