[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-keto-ethyl] ester Formula: C20H18N2O9 MolecularWeight: 430.36492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C20H18N2O9/c1-11(12-2-3-15-16(6-12)28-5-4-27-15)21-19(23)9-29-20(24)13-7-17-18(31-10-30-17)8-14(13)22(25)26/h2-3,6-8,11H,4-5,9-10H2,1H3,(H,21,23)