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

Systemtic Name: [4-(trifluoromethyl)phenyl]methyl 2-azanyl-2-nitro-butanoate Openeye Name: [4-(trifluoromethyl)phenyl]methyl 2-amino-2-nitro-butanoate CAS Name: 2-amino-2-nitrobutanoic acid [4-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [4-(trifluoromethyl)phenyl]methyl 2-amino-2-nitrobutanoate Traditional Name: 2-amino-2-nitro-butyric acid [4-(trifluoromethyl)benzyl] ester Formula: C12H13F3N2O4 MolecularWeight: 306.23783

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC1=CC=C(C=C1)C(F)(F)F)(N)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)OCC1=CC=C(C=C1)C(F)(F)F)(N)[N+](=O)[O-]

InChI

InChI=1S/C12H13F3N2O4/c1-2-11(16,17(19)20)10(18)21-7-8-3-5-9(6-4-8)12(13,14)15/h3-6H,2,7,16H2,1H3