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

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl 4-azanyl-3-nitro-benzoate Openeye Name: [2-(trifluoromethyl)phenyl]methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-(trifluoromethyl)benzyl] ester Formula: C15H11F3N2O4 MolecularWeight: 340.25405

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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