methyl 3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]benzoate

Systemtic Name: methyl 3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]benzoate Openeye Name: methyl 3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]benzoate CAS Name: 3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]benzoate Traditional Name: 3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]oxymethyl]benzoic acid methyl ester Formula: C19H15NO8 MolecularWeight: 385.3243

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C19H15NO8/c1-25-19(22)14-4-2-3-12(7-14)10-26-18(21)6-5-13-8-16-17(28-11-27-16)9-15(13)20(23)24/h2-9H,10-11H2,1H3/b6-5+