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

Systemtic Name: methyl 5-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]oxymethyl]furan-2-carboxylic acid methyl ester Formula: C17H13NO9 MolecularWeight: 375.28642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)COC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

COC(=O)C1=CC=C(O1)COC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C17H13NO9/c1-23-17(20)13-4-3-11(27-13)8-24-16(19)5-2-10-6-14-15(26-9-25-14)7-12(10)18(21)22/h2-7H,8-9H2,1H3/b5-2+