(3-fluoranyl-4-methoxy-phenyl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C18H19FN2O6 MolecularWeight: 378.351663

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OCC2=CC(=C(C=C2)OC)F)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)OCC2=CC(=C(C=C2)OC)F)[N+](=O)[O-]

InChI

InChI=1S/C18H19FN2O6/c1-25-8-7-20-15-5-4-13(10-16(15)21(23)24)18(22)27-11-12-3-6-17(26-2)14(19)9-12/h3-6,9-10,20H,7-8,11H2,1-2H3