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

Systemtic Name: (4-ethanoylphenyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (4-acetylphenyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (4-acetylphenyl) ester Formula: C17H13NO7 MolecularWeight: 343.28762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO7/c1-10(19)11-2-4-12(5-3-11)25-17(20)13-8-15-16(24-7-6-23-15)9-14(13)18(21)22/h2-5,8-9H,6-7H2,1H3