7-[3-[[(4-bromophenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxidanylidene-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylate

Systemtic Name: 7-[3-[[(4-bromophenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxidanylidene-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylate Openeye Name: 7-[3-[[(4-bromophenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxo-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylate CAS Name: 7-[3-[[[(4-bromoanilino)-oxomethyl]amino]methyl]-1-pyrrolyl]-3-oxo-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylate IUPAC Name: 7-[3-[[(4-bromophenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-oxo-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylate Traditional Name: 7-[3-[[(4-bromophenyl)carbamoylamino]methyl]pyrrol-1-yl]-3-keto-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylate Formula: C22H14BrF3N5O4- MolecularWeight: 549.27687

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NCC2=CN(C=C2)C3=CC4=C(C=C3C(F)(F)F)NC(=O)C(=N4)C(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NCC2=CN(C=C2)C3=CC4=C(C=C3C(F)(F)F)NC(=O)C(=N4)C(=O)[O-])Br

InChI

InChI=1S/C22H15BrF3N5O4/c23-12-1-3-13(4-2-12)28-21(35)27-9-11-5-6-31(10-11)17-8-16-15(7-14(17)22(24,25)26)30-19(32)18(29-16)20(33)34/h1-8,10H,9H2,(H,30,32)(H,33,34)(H2,27,28,35)/p-1