(4-methoxycarbonyl-5-methyl-furan-2-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (4-methoxycarbonyl-5-methyl-furan-2-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (4-methoxycarbonyl-5-methyl-2-furyl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (4-methoxycarbonyl-5-methyl-2-furanyl)methyl ester IUPAC Name: (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (4-carbomethoxy-5-methyl-2-furyl)methyl ester Formula: C17H15NO9 MolecularWeight: 377.3023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C(=O)OC

InChI

InChI=1S/C17H15NO9/c1-9-11(16(19)23-2)5-10(27-9)8-26-17(20)12-6-14-15(25-4-3-24-14)7-13(12)18(21)22/h5-7H,3-4,8H2,1-2H3