3-azanyl-N-[(4-nitrophenyl)methyl]propanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-azanyl-N-[(4-nitrophenyl)methyl]propanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-amino-N-[(4-nitrophenyl)methyl]propanamide; 2,2,2-trifluoroacetic acid CAS Name: 3-amino-N-[(4-nitrophenyl)methyl]propanamide; 2,2,2-trifluoroacetic acid IUPAC Name: 3-amino-N-[(4-nitrophenyl)methyl]propanamide; 2,2,2-trifluoroacetic acid Traditional Name: 3-amino-N-(4-nitrobenzyl)propionamide; 2,2,2-trifluoroacetic acid Formula: C12H14F3N3O5 MolecularWeight: 337.25187

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCN)[N+](=O)[O-].C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCN)[N+](=O)[O-].C(=O)(C(F)(F)F)O

InChI

InChI=1S/C10H13N3O3.C2HF3O2/c11-6-5-10(14)12-7-8-1-3-9(4-2-8)13(15)16;3-2(4,5)1(6)7/h1-4H,5-7,11H2,(H,12,14);(H,6,7)