3-[2,3-bis(oxidanylidene)-7-pyrrol-1-yl-6-(trifluoromethyl)-4H-quinoxalin-1-yl]propanoic acid

Systemtic Name: 3-[2,3-bis(oxidanylidene)-7-pyrrol-1-yl-6-(trifluoromethyl)-4H-quinoxalin-1-yl]propanoic acid Openeye Name: 3-[2,3-dioxo-7-pyrrol-1-yl-6-(trifluoromethyl)-4H-quinoxalin-1-yl]propanoic acid CAS Name: 3-[2,3-dioxo-7-(1-pyrrolyl)-6-(trifluoromethyl)-4H-quinoxalin-1-yl]propanoic acid IUPAC Name: 3-[2,3-dioxo-7-pyrrol-1-yl-6-(trifluoromethyl)-4H-quinoxalin-1-yl]propanoic acid Traditional Name: 3-[2,3-diketo-7-pyrrol-1-yl-6-(trifluoromethyl)-4H-quinoxalin-1-yl]propionic acid Formula: C16H12F3N3O4 MolecularWeight: 367.27939

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC3=C(C=C2C(F)(F)F)NC(=O)C(=O)N3CCC(=O)O

Isomeric SMILES

C1=CN(C=C1)C2=CC3=C(C=C2C(F)(F)F)NC(=O)C(=O)N3CCC(=O)O

InChI

InChI=1S/C16H12F3N3O4/c17-16(18,19)9-7-10-12(8-11(9)21-4-1-2-5-21)22(6-3-13(23)24)15(26)14(25)20-10/h1-2,4-5,7-8H,3,6H2,(H,20,25)(H,23,24)