[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C19H16FNO7 MolecularWeight: 389.331243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16FNO7/c20-13-5-3-12(4-6-13)16(22)2-1-7-28-19(23)14-10-17-18(27-9-8-26-17)11-15(14)21(24)25/h3-6,10-11H,1-2,7-9H2