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

Systemtic Name: 7-[3-[[(4-carboxy-2-fluoranyl-phenyl)carbamoylamino]methyl]pyrrol-1-yl]-6-chloranyl-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 7-[3-[[(4-carboxy-2-fluoro-phenyl)carbamoylamino]methyl]pyrrol-1-yl]-6-chloro-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 7-[3-[[[(4-carboxy-2-fluoroanilino)-oxomethyl]amino]methyl]-1-pyrrolyl]-6-chloro-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 7-[3-[[(4-carboxy-2-fluorophenyl)carbamoylamino]methyl]pyrrol-1-yl]-6-chloro-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 7-[3-[[(4-carboxy-2-fluoro-phenyl)carbamoylamino]methyl]pyrrol-1-yl]-6-chloro-3-keto-4H-quinoxaline-2-carboxylic acid Formula: C22H15ClFN5O6 MolecularWeight: 499.835803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)F)NC(=O)NCC2=CN(C=C2)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=C2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)O)Cl

InChI

InChI=1S/C22H15ClFN5O6/c23-12-6-15-16(26-18(21(33)34)19(30)27-15)7-17(12)29-4-3-10(9-29)8-25-22(35)28-14-2-1-11(20(31)32)5-13(14)24/h1-7,9H,8H2,(H,27,30)(H,31,32)(H,33,34)(H2,25,28,35)