[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C16H20N2O7 MolecularWeight: 352.3392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2

InChI

InChI=1S/C16H20N2O7/c1-4-16(2,3)17-14(19)9-25-15(20)10-7-12-13(24-6-5-23-12)8-11(10)18(21)22/h7-8H,4-6,9H2,1-3H3,(H,17,19)