4-fluoranyl-3-[(5-nitrofuran-2-yl)methylamino]benzoic acid

Systemtic Name: 4-fluoranyl-3-[(5-nitrofuran-2-yl)methylamino]benzoic acid Openeye Name: 4-fluoro-3-[(5-nitro-2-furyl)methylamino]benzoic acid CAS Name: 4-fluoro-3-[(5-nitro-2-furanyl)methylamino]benzoic acid IUPAC Name: 4-fluoro-3-[(5-nitrofuran-2-yl)methylamino]benzoic acid Traditional Name: 4-fluoro-3-[(5-nitro-2-furyl)methylamino]benzoic acid Formula: C12H9FN2O5 MolecularWeight: 280.208663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NCC2=CC=C(O2)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NCC2=CC=C(O2)[N+](=O)[O-])F

InChI

InChI=1S/C12H9FN2O5/c13-9-3-1-7(12(16)17)5-10(9)14-6-8-2-4-11(20-8)15(18)19/h1-5,14H,6H2,(H,16,17)