phenacyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H13NO7/c19-14(11-4-2-1-3-5-11)10-25-17(20)12-8-15-16(24-7-6-23-15)9-13(12)18(21)22/h1-5,8-9H,6-7,10H2