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

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)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-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)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-(2,4,5-trimethylphenyl)ethyl] ester Formula: C20H19NO7 MolecularWeight: 385.36736

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO7/c1-11-6-13(3)14(7-12(11)2)17(22)10-28-20(23)15-8-18-19(27-5-4-26-18)9-16(15)21(24)25/h6-9H,4-5,10H2,1-3H3