[2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)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-(2,3,4,5-tetramethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)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-(2,3,4,5-tetramethylphenyl)ethyl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C)C)C

InChI

InChI=1S/C21H21NO7/c1-11-7-15(14(4)13(3)12(11)2)18(23)10-29-21(24)16-8-19-20(28-6-5-27-19)9-17(16)22(25)26/h7-9H,5-6,10H2,1-4H3