[2-(trifluoromethyl)phenyl]methyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(trifluoromethyl)phenyl]methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(trifluoromethyl)benzyl] ester Formula: C16H13F3N2O4 MolecularWeight: 354.28063

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H13F3N2O4/c1-20-13-7-6-10(8-14(13)21(23)24)15(22)25-9-11-4-2-3-5-12(11)16(17,18)19/h2-8,20H,9H2,1H3