(2,6-dimethylphenyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (2,6-dimethylphenyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (2,6-dimethylphenyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (2,6-dimethylphenyl) ester Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO6/c1-10-4-3-5-11(2)16(10)24-17(19)12-8-14-15(23-7-6-22-14)9-13(12)18(20)21/h3-5,8-9H,6-7H2,1-2H3