2-[(2,4-dinitrophenyl)amino]-3-(5-fluoranyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]-3-(5-fluoranyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-(2,4-dinitroanilino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid CAS Name: 2-(2,4-dinitroanilino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid IUPAC Name: 2-(2,4-dinitroanilino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid Traditional Name: 2-(2,4-dinitroanilino)-3-(5-fluoro-1H-indol-3-yl)propionic acid Formula: C17H13FN4O6 MolecularWeight: 388.306723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CC2=CNC3=C2C=C(C=C3)F)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CC2=CNC3=C2C=C(C=C3)F)C(=O)O

InChI

InChI=1S/C17H13FN4O6/c18-10-1-3-13-12(6-10)9(8-19-13)5-15(17(23)24)20-14-4-2-11(21(25)26)7-16(14)22(27)28/h1-4,6-8,15,19-20H,5H2,(H,23,24)