3-[1-methyl-8-nitro-4-oxidanylidene-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-2-yl]propanoic acid

Systemtic Name: 3-[1-methyl-8-nitro-4-oxidanylidene-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-2-yl]propanoic acid Openeye Name: 3-[1-methyl-8-nitro-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-2-yl]propanoic acid CAS Name: 3-[1-methyl-8-nitro-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-2-yl]propanoic acid IUPAC Name: 3-[1-methyl-8-nitro-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-2-yl]propanoic acid Traditional Name: 3-[4-keto-1-methyl-8-nitro-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-2-yl]propionic acid Formula: C15H11F3N4O5 MolecularWeight: 384.26685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2N1C3=C(C=C(C(=C3)[N+](=O)[O-])C(F)(F)F)NC2=O)CCC(=O)O

Isomeric SMILES

CC1=C(N=C2N1C3=C(C=C(C(=C3)[N+](=O)[O-])C(F)(F)F)NC2=O)CCC(=O)O

InChI

InChI=1S/C15H11F3N4O5/c1-6-8(2-3-12(23)24)19-13-14(25)20-9-4-7(15(16,17)18)10(22(26)27)5-11(9)21(6)13/h4-5H,2-3H2,1H3,(H,20,25)(H,23,24)