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

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 4-azanyl-3-nitro-benzoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [3-(trifluoromethyl)benzyl] ester Formula: C15H11F3N2O4 MolecularWeight: 340.25405

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C15H11F3N2O4/c16-15(17,18)11-3-1-2-9(6-11)8-24-14(21)10-4-5-12(19)13(7-10)20(22)23/h1-7H,8,19H2