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

Systemtic Name: [2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-oxo-2-(1,1,3,3-tetramethylbutylamino)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-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl] ester Formula: C19H26N2O7 MolecularWeight: 394.41894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O7/c1-18(2,3)11-19(4,5)20-16(22)10-28-17(23)12-8-14-15(27-7-6-26-14)9-13(12)21(24)25/h8-9H,6-7,10-11H2,1-5H3,(H,20,22)