ethyl 2-[(6-nitro-1,3-benzodioxol-5-yl)-oxidanyl-methyl]prop-2-enoate

Systemtic Name: ethyl 2-[(6-nitro-1,3-benzodioxol-5-yl)-oxidanyl-methyl]prop-2-enoate Openeye Name: ethyl 2-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]prop-2-enoate CAS Name: 2-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]prop-2-enoate Traditional Name: 2-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]acrylic acid ethyl ester Formula: C13H13NO7 MolecularWeight: 295.24482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO7/c1-3-19-13(16)7(2)12(15)8-4-10-11(21-6-20-10)5-9(8)14(17)18/h4-5,12,15H,2-3,6H2,1H3