7-[4-[[(4-carboxy-2-fluoranyl-phenyl)carbamoylamino]methyl]imidazol-1-yl]-6-chloranyl-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid

Systemtic Name: 7-[4-[[(4-carboxy-2-fluoranyl-phenyl)carbamoylamino]methyl]imidazol-1-yl]-6-chloranyl-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 7-[4-[[(4-carboxy-2-fluoro-phenyl)carbamoylamino]methyl]imidazol-1-yl]-6-chloro-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 7-[4-[[[(4-carboxy-2-fluoroanilino)-oxomethyl]amino]methyl]-1-imidazolyl]-6-chloro-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 7-[4-[[(4-carboxy-2-fluorophenyl)carbamoylamino]methyl]imidazol-1-yl]-6-chloro-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 7-[4-[[(4-carboxy-2-fluoro-phenyl)carbamoylamino]methyl]imidazol-1-yl]-6-chloro-3-keto-4H-quinoxaline-2-carboxylic acid Formula: C21H14ClFN6O6 MolecularWeight: 500.823863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)F)NC(=O)NCC2=CN(C=N2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)F)NC(=O)NCC2=CN(C=N2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)O)Cl

InChI

InChI=1S/C21H14ClFN6O6/c22-11-4-14-15(26-17(20(33)34)18(30)27-14)5-16(11)29-7-10(25-8-29)6-24-21(35)28-13-2-1-9(19(31)32)3-12(13)23/h1-5,7-8H,6H2,(H,27,30)(H,31,32)(H,33,34)(H2,24,28,35)