3-[(5-fluoranyl-2,4-dinitro-phenyl)-methyl-amino]benzoic acid

Systemtic Name: 3-[(5-fluoranyl-2,4-dinitro-phenyl)-methyl-amino]benzoic acid Openeye Name: 3-(5-fluoro-N-methyl-2,4-dinitro-anilino)benzoic acid CAS Name: 3-(5-fluoro-N-methyl-2,4-dinitroanilino)benzoic acid IUPAC Name: 3-(5-fluoro-N-methyl-2,4-dinitroanilino)benzoic acid Traditional Name: 3-(5-fluoro-N-methyl-2,4-dinitro-anilino)benzoic acid Formula: C14H10FN3O6 MolecularWeight: 335.244103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10FN3O6/c1-16(9-4-2-3-8(5-9)14(19)20)12-6-10(15)11(17(21)22)7-13(12)18(23)24/h2-7H,1H3,(H,19,20)