6-[2-[[(2-fluorophenyl)carbamoylamino]methyl]imidazol-1-yl]-7-nitro-2-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-[2-[[(2-fluorophenyl)carbamoylamino]methyl]imidazol-1-yl]-7-nitro-2-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-[2-[[(2-fluorophenyl)carbamoylamino]methyl]imidazol-1-yl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-[2-[[[(2-fluoroanilino)-oxomethyl]amino]methyl]-1-imidazolyl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-[2-[[(2-fluorophenyl)carbamoylamino]methyl]imidazol-1-yl]-7-nitro-2-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-[2-[[(2-fluorophenyl)carbamoylamino]methyl]imidazol-1-yl]-2-keto-7-nitro-1H-quinoline-3-carboxylic acid Formula: C21H15FN6O6 MolecularWeight: 466.378803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)NCC2=NC=CN2C3=C(C=C4C(=C3)C=C(C(=O)N4)C(=O)O)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)NCC2=NC=CN2C3=C(C=C4C(=C3)C=C(C(=O)N4)C(=O)O)[N+](=O)[O-])F

InChI

InChI=1S/C21H15FN6O6/c22-13-3-1-2-4-14(13)26-21(32)24-10-18-23-5-6-27(18)16-8-11-7-12(20(30)31)19(29)25-15(11)9-17(16)28(33)34/h1-9H,10H2,(H,25,29)(H,30,31)(H2,24,26,32)