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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C)C)C

InChI

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