5-[(3-fluorophenyl)methylamino]-2-nitro-benzoic acid

Systemtic Name: 5-[(3-fluorophenyl)methylamino]-2-nitro-benzoic acid Openeye Name: 5-[(3-fluorophenyl)methylamino]-2-nitro-benzoic acid CAS Name: 5-[(3-fluorophenyl)methylamino]-2-nitrobenzoic acid IUPAC Name: 5-[(3-fluorophenyl)methylamino]-2-nitrobenzoic acid Traditional Name: 5-[(3-fluorobenzyl)amino]-2-nitro-benzoic acid Formula: C14H11FN2O4 MolecularWeight: 290.246543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CNC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)CNC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H11FN2O4/c15-10-3-1-2-9(6-10)8-16-11-4-5-13(17(20)21)12(7-11)14(18)19/h1-7,16H,8H2,(H,18,19)