ethyl 3-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-4-nitro-butanoate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-4-nitro-butanoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-nitro-butanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-nitrobutanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)-4-nitro-butyric acid ethyl ester Formula: C22H21NO9 MolecularWeight: 443.40344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H21NO9/c1-2-28-22(25)20(21(24)14-4-6-16-18(10-14)30-8-7-29-16)15(11-23(26)27)13-3-5-17-19(9-13)32-12-31-17/h3-6,9-10,15,20H,2,7-8,11-12H2,1H3