(3-nitrophenyl)methyl 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: (3-nitrophenyl)methyl 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: (3-nitrophenyl)methyl 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid (3-nitrobenzyl) ester Formula: C17H14FNO5 MolecularWeight: 331.295163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)CCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)CCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H14FNO5/c18-14-6-4-13(5-7-14)16(20)8-9-17(21)24-11-12-2-1-3-15(10-12)19(22)23/h1-7,10H,8-9,11H2