[1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2,3-dimethyl-1H-indole-5-carboxylate

Systemtic Name: [1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2,3-dimethyl-1H-indole-5-carboxylate Openeye Name: [1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 2,3-dimethyl-1H-indole-5-carboxylate CAS Name: 2,3-dimethyl-1H-indole-5-carboxylic acid [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2,3-dimethyl-1H-indole-5-carboxylate Traditional Name: 2,3-dimethyl-1H-indole-5-carboxylic acid [2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C21H18F3N3O5 MolecularWeight: 449.37993

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F)C

InChI

InChI=1S/C21H18F3N3O5/c1-10-11(2)25-17-6-4-13(8-15(10)17)20(29)32-12(3)19(28)26-18-7-5-14(27(30)31)9-16(18)21(22,23)24/h4-9,12,25H,1-3H3,(H,26,28)