(5-fluoranyl-2-nitro-phenyl) 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: (5-fluoranyl-2-nitro-phenyl) 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (5-fluoro-2-nitro-phenyl) 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid (5-fluoro-2-nitrophenyl) ester IUPAC Name: (5-fluoro-2-nitrophenyl) 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (5-fluoro-2-nitro-phenyl) ester Formula: C16H14FN3O7 MolecularWeight: 379.296663

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OC2=C(C=CC(=C2)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)OC2=C(C=CC(=C2)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14FN3O7/c1-26-7-6-18-12-4-2-10(8-14(12)20(24)25)16(21)27-15-9-11(17)3-5-13(15)19(22)23/h2-5,8-9,18H,6-7H2,1H3