methyl 2-[2-(4-fluorophenyl)ethylamino]-5-nitro-benzoate

Systemtic Name: methyl 2-[2-(4-fluorophenyl)ethylamino]-5-nitro-benzoate Openeye Name: methyl 2-[2-(4-fluorophenyl)ethylamino]-5-nitro-benzoate CAS Name: 2-[2-(4-fluorophenyl)ethylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[2-(4-fluorophenyl)ethylamino]-5-nitrobenzoate Traditional Name: 2-[2-(4-fluorophenyl)ethylamino]-5-nitro-benzoic acid methyl ester Formula: C16H15FN2O4 MolecularWeight: 318.299703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCC2=CC=C(C=C2)F

InChI

InChI=1S/C16H15FN2O4/c1-23-16(20)14-10-13(19(21)22)6-7-15(14)18-9-8-11-2-4-12(17)5-3-11/h2-7,10,18H,8-9H2,1H3