methyl 2-[acetyloxy-(4-nitro-1,3-benzodioxol-5-yl)methyl]prop-2-enoate

Systemtic Name: methyl 2-[acetyloxy-(4-nitro-1,3-benzodioxol-5-yl)methyl]prop-2-enoate Openeye Name: methyl 2-[acetoxy-(4-nitro-1,3-benzodioxol-5-yl)methyl]prop-2-enoate CAS Name: 2-[acetyloxy-(4-nitro-1,3-benzodioxol-5-yl)methyl]-2-propenoic acid methyl ester IUPAC Name: methyl 2-[acetyloxy-(4-nitro-1,3-benzodioxol-5-yl)methyl]prop-2-enoate Traditional Name: 2-[acetoxy-(4-nitro-1,3-benzodioxol-5-yl)methyl]acrylic acid methyl ester Formula: C14H13NO8 MolecularWeight: 323.25492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO8/c1-7(14(17)20-3)12(23-8(2)16)9-4-5-10-13(22-6-21-10)11(9)15(18)19/h4-5,12H,1,6H2,2-3H3