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

Systemtic Name: 6-chloranyl-7-[3-[[(3-fluorophenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 6-chloro-7-[3-[[(3-fluorophenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 6-chloro-7-[3-[[[(3-fluoroanilino)-oxomethyl]amino]methyl]-1-pyrrolyl]-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 6-chloro-7-[3-[[(3-fluorophenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 6-chloro-7-[3-[[(3-fluorophenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-keto-4H-quinoxaline-2-carboxylic acid Formula: C21H15ClFN5O4 MolecularWeight: 455.826303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H15ClFN5O4/c22-14-7-15-16(26-18(20(30)31)19(29)27-15)8-17(14)28-5-4-11(10-28)9-24-21(32)25-13-3-1-2-12(23)6-13/h1-8,10H,9H2,(H,27,29)(H,30,31)(H2,24,25,32)