6-[4-[(4-carboxy-2-fluoranyl-phenyl)carbamoyloxymethyl]imidazol-1-yl]-7-nitro-2-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-[4-[(4-carboxy-2-fluoranyl-phenyl)carbamoyloxymethyl]imidazol-1-yl]-7-nitro-2-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-[4-[(4-carboxy-2-fluoro-phenyl)carbamoyloxymethyl]imidazol-1-yl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-[4-[[(4-carboxy-2-fluoroanilino)-oxomethoxy]methyl]-1-imidazolyl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-[4-[(4-carboxy-2-fluorophenyl)carbamoyloxymethyl]imidazol-1-yl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-[4-[(4-carboxy-2-fluoro-phenyl)carbamoyloxymethyl]imidazol-1-yl]-2-keto-7-nitro-1H-quinoline-3-carboxylic acid Formula: C22H14FN5O9 MolecularWeight: 511.373063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)F)NC(=O)OCC2=CN(C=N2)C3=C(C=C4C(=C3)C=C(C(=O)N4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)F)NC(=O)OCC2=CN(C=N2)C3=C(C=C4C(=C3)C=C(C(=O)N4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H14FN5O9/c23-14-4-10(20(30)31)1-2-15(14)26-22(34)37-8-12-7-27(9-24-12)17-5-11-3-13(21(32)33)19(29)25-16(11)6-18(17)28(35)36/h1-7,9H,8H2,(H,25,29)(H,26,34)(H,30,31)(H,32,33)