(3-azanyl-3-oxidanylidene-propyl) 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl) 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: (3-amino-3-oxo-propyl) 2-[2-nitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid (3-amino-3-oxopropyl) ester IUPAC Name: (3-amino-3-oxopropyl) 2-[2-nitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid (3-amino-3-keto-propyl) ester Formula: C12H12F3N3O5 MolecularWeight: 335.23599

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCC(=O)OCCC(=O)N

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCC(=O)OCCC(=O)N

InChI

InChI=1S/C12H12F3N3O5/c13-12(14,15)7-1-2-8(9(5-7)18(21)22)17-6-11(20)23-4-3-10(16)19/h1-2,5,17H,3-4,6H2,(H2,16,19)