N-(cyanomethyl)-2-[[3-nitro-4-(trifluoromethyl)phenyl]amino]propanamide

Systemtic Name: N-(cyanomethyl)-2-[[3-nitro-4-(trifluoromethyl)phenyl]amino]propanamide Openeye Name: N-(cyanomethyl)-2-[3-nitro-4-(trifluoromethyl)anilino]propanamide CAS Name: N-(cyanomethyl)-2-[3-nitro-4-(trifluoromethyl)anilino]propanamide IUPAC Name: N-(cyanomethyl)-2-[3-nitro-4-(trifluoromethyl)anilino]propanamide Traditional Name: N-(cyanomethyl)-2-[3-nitro-4-(trifluoromethyl)anilino]propionamide Formula: C12H11F3N4O3 MolecularWeight: 316.23595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#N)NC1=CC(=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC#N)NC1=CC(=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H11F3N4O3/c1-7(11(20)17-5-4-16)18-8-2-3-9(12(13,14)15)10(6-8)19(21)22/h2-3,6-7,18H,5H2,1H3,(H,17,20)