2-[[3-[3,4-bis(fluoranyl)phenyl]-6-oxidanylidene-7-pyridin-2-yl-4H-quinoxalin-5-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3-[3,4-bis(fluoranyl)phenyl]-6-oxidanylidene-7-pyridin-2-yl-4H-quinoxalin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[3-(3,4-difluorophenyl)-6-oxo-7-(2-pyridyl)-4H-quinoxaline-5-carbonyl]amino]acetic acid CAS Name: 2-[[[3-(3,4-difluorophenyl)-6-oxo-7-(2-pyridinyl)-4H-quinoxalin-5-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-(3,4-difluorophenyl)-6-oxo-7-pyridin-2-yl-4H-quinoxaline-5-carbonyl]amino]acetic acid Traditional Name: 2-[[3-(3,4-difluorophenyl)-6-keto-7-(2-pyridyl)-4H-quinoxaline-5-carbonyl]amino]acetic acid Formula: C22H14F2N4O4 MolecularWeight: 436.367766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC3=NC=C(NC3=C(C2=O)C(=O)NCC(=O)O)C4=CC(=C(C=C4)F)F

Isomeric SMILES

C1=CC=NC(=C1)C2=CC3=NC=C(NC3=C(C2=O)C(=O)NCC(=O)O)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C22H14F2N4O4/c23-13-5-4-11(7-14(13)24)17-9-26-16-8-12(15-3-1-2-6-25-15)21(31)19(20(16)28-17)22(32)27-10-18(29)30/h1-9,28H,10H2,(H,27,32)(H,29,30)