[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propionic acid [2-keto-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C27H20ClF3N4O6 MolecularWeight: 588.91911

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C27H20ClF3N4O6/c28-20-7-3-1-6-18(20)25(37)34-23(11-15-13-32-21-8-4-2-5-17(15)21)26(38)41-14-24(36)33-22-10-9-16(35(39)40)12-19(22)27(29,30)31/h1-10,12-13,23,32H,11,14H2,(H,33,36)(H,34,37)