methyl 2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]-5-nitro-benzoate

Systemtic Name: methyl 2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]-5-nitro-benzoate Openeye Name: methyl 2-[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]-5-nitro-benzoate CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-5-nitrobenzoate Traditional Name: 2-[(3-fluoro-4-methoxy-benzyl)-methyl-amino]-5-nitro-benzoic acid methyl ester Formula: C17H17FN2O5 MolecularWeight: 348.325683

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)F)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)F)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H17FN2O5/c1-19(10-11-4-7-16(24-2)14(18)8-11)15-6-5-12(20(22)23)9-13(15)17(21)25-3/h4-9H,10H2,1-3H3