7-[3-[1-[(4-carboxyphenyl)carbamoylamino]ethyl]pyrrol-1-yl]-6-fluoranyl-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid

Systemtic Name: 7-[3-[1-[(4-carboxyphenyl)carbamoylamino]ethyl]pyrrol-1-yl]-6-fluoranyl-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 7-[3-[1-[(4-carboxyphenyl)carbamoylamino]ethyl]pyrrol-1-yl]-6-fluoro-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 7-[3-[1-[[(4-carboxyanilino)-oxomethyl]amino]ethyl]-1-pyrrolyl]-6-fluoro-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 7-[3-[1-[(4-carboxyphenyl)carbamoylamino]ethyl]pyrrol-1-yl]-6-fluoro-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 7-[3-[1-[(4-carboxyphenyl)carbamoylamino]ethyl]pyrrol-1-yl]-6-fluoro-3-keto-4H-quinoxaline-2-carboxylic acid Formula: C23H18FN5O6 MolecularWeight: 479.417323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(C=C1)C2=C(C=C3C(=C2)N=C(C(=O)N3)C(=O)O)F)NC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(C1=CN(C=C1)C2=C(C=C3C(=C2)N=C(C(=O)N3)C(=O)O)F)NC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H18FN5O6/c1-11(25-23(35)26-14-4-2-12(3-5-14)21(31)32)13-6-7-29(10-13)18-9-17-16(8-15(18)24)28-20(30)19(27-17)22(33)34/h2-11H,1H3,(H,28,30)(H,31,32)(H,33,34)(H2,25,26,35)