3-oxidanylidene-7-[3-[(phenylcarbamoylamino)methyl]pyrrol-1-yl]-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylic acid

Systemtic Name: 3-oxidanylidene-7-[3-[(phenylcarbamoylamino)methyl]pyrrol-1-yl]-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylic acid Openeye Name: 3-oxo-7-[3-[(phenylcarbamoylamino)methyl]pyrrol-1-yl]-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylic acid CAS Name: 7-[3-[[[anilino(oxo)methyl]amino]methyl]-1-pyrrolyl]-3-oxo-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylic acid IUPAC Name: 3-oxo-7-[3-[(phenylcarbamoylamino)methyl]pyrrol-1-yl]-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylic acid Traditional Name: 3-keto-7-[3-[(phenylcarbamoylamino)methyl]pyrrol-1-yl]-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylic acid Formula: C22H16F3N5O4 MolecularWeight: 471.38875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NCC2=CN(C=C2)C3=CC4=C(C=C3C(F)(F)F)NC(=O)C(=N4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NCC2=CN(C=C2)C3=CC4=C(C=C3C(F)(F)F)NC(=O)C(=N4)C(=O)O

InChI

InChI=1S/C22H16F3N5O4/c23-22(24,25)14-8-15-16(28-18(20(32)33)19(31)29-15)9-17(14)30-7-6-12(11-30)10-26-21(34)27-13-4-2-1-3-5-13/h1-9,11H,10H2,(H,29,31)(H,32,33)(H2,26,27,34)