2-[(2,4-dinitrophenyl)amino]-3-(4-fluorophenyl)propanoic acid

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 2-(2,4-dinitroanilino)-3-(4-fluorophenyl)propanoic acid CAS Name: 2-(2,4-dinitroanilino)-3-(4-fluorophenyl)propanoic acid IUPAC Name: 2-(2,4-dinitroanilino)-3-(4-fluorophenyl)propanoic acid Traditional Name: 2-(2,4-dinitroanilino)-3-(4-fluorophenyl)propionic acid Formula: C15H12FN3O6 MolecularWeight: 349.270683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])F

InChI

InChI=1S/C15H12FN3O6/c16-10-3-1-9(2-4-10)7-13(15(20)21)17-12-6-5-11(18(22)23)8-14(12)19(24)25/h1-6,8,13,17H,7H2,(H,20,21)