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

Systemtic Name: (3-propan-2-ylphenyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (3-isopropylphenyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid m-cumenyl ester Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO6/c1-11(2)12-4-3-5-13(8-12)25-18(20)14-9-16-17(24-7-6-23-16)10-15(14)19(21)22/h3-5,8-11H,6-7H2,1-2H3