4-[[2-[4-[[4-chloranyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]amino]phenyl]ethanoylamino]methyl]benzoate

Systemtic Name: 4-[[2-[4-[[4-chloranyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]amino]phenyl]ethanoylamino]methyl]benzoate Openeye Name: 4-[[[2-[4-[[4-chloro-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]amino]phenyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[4-[[4-chloro-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-3-pyrrolyl]amino]phenyl]-1-oxoethyl]amino]methyl]benzoate IUPAC Name: 4-[[[2-[4-[[4-chloro-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]amino]phenyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[4-[[4-chloro-2,5-diketo-1-[3-(trifluoromethyl)phenyl]-3-pyrrolin-3-yl]amino]phenyl]acetyl]amino]methyl]benzoate Formula: C27H18ClF3N3O5- MolecularWeight: 556.89713

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)CC(=O)NCC4=CC=C(C=C4)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)CC(=O)NCC4=CC=C(C=C4)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C27H19ClF3N3O5/c28-22-23(25(37)34(24(22)36)20-3-1-2-18(13-20)27(29,30)31)33-19-10-6-15(7-11-19)12-21(35)32-14-16-4-8-17(9-5-16)26(38)39/h1-11,13,33H,12,14H2,(H,32,35)(H,38,39)/p-1