methyl 5-[(4-aminocarbonyl-2-nitro-phenyl)methylamino]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[(4-aminocarbonyl-2-nitro-phenyl)methylamino]-2-fluoranyl-benzoate Openeye Name: methyl 5-[(4-carbamoyl-2-nitro-phenyl)methylamino]-2-fluoro-benzoate CAS Name: 5-[(4-carbamoyl-2-nitrophenyl)methylamino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[(4-carbamoyl-2-nitrophenyl)methylamino]-2-fluorobenzoate Traditional Name: 5-[(4-carbamoyl-2-nitro-benzyl)amino]-2-fluoro-benzoic acid methyl ester Formula: C16H14FN3O5 MolecularWeight: 347.297863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])F

InChI

InChI=1S/C16H14FN3O5/c1-25-16(22)12-7-11(4-5-13(12)17)19-8-10-3-2-9(15(18)21)6-14(10)20(23)24/h2-7,19H,8H2,1H3,(H2,18,21)