3-(4-fluoranylphenoxy)propyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: 3-(4-fluoranylphenoxy)propyl 4-(methylamino)-3-nitro-benzoate Openeye Name: 3-(4-fluorophenoxy)propyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid 3-(4-fluorophenoxy)propyl ester IUPAC Name: 3-(4-fluorophenoxy)propyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid 3-(4-fluorophenoxy)propyl ester Formula: C17H17FN2O5 MolecularWeight: 348.325683

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCCCOC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCCCOC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17FN2O5/c1-19-15-8-3-12(11-16(15)20(22)23)17(21)25-10-2-9-24-14-6-4-13(18)5-7-14/h3-8,11,19H,2,9-10H2,1H3