[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-keto-2-[3-(trifluoromethyl)phenyl]ethyl] ester Formula: C19H15F3N2O5 MolecularWeight: 408.32801

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H15F3N2O5/c20-19(21,22)13-3-1-2-11(8-13)17(25)10-29-18(26)12-4-7-15(23-14-5-6-14)16(9-12)24(27)28/h1-4,7-9,14,23H,5-6,10H2