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

Systemtic Name: methyl 2-methyl-5-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enoxy]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]oxymethyl]furan-3-carboxylic acid methyl ester Formula: C18H15NO9 MolecularWeight: 389.313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)OC

InChI

InChI=1S/C18H15NO9/c1-10-13(18(21)24-2)6-12(28-10)8-25-17(20)4-3-11-5-15-16(27-9-26-15)7-14(11)19(22)23/h3-7H,8-9H2,1-2H3/b4-3+