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

Systemtic Name: 2-azanyl-3-methyl-N-[2-nitro-4-(trifluoromethyl)phenyl]butanamide Openeye Name: 2-amino-3-methyl-N-[2-nitro-4-(trifluoromethyl)phenyl]butanamide CAS Name: 2-amino-3-methyl-N-[2-nitro-4-(trifluoromethyl)phenyl]butanamide IUPAC Name: 2-amino-3-methyl-N-[2-nitro-4-(trifluoromethyl)phenyl]butanamide Traditional Name: 2-amino-3-methyl-N-[2-nitro-4-(trifluoromethyl)phenyl]butyramide Formula: C12H14F3N3O3 MolecularWeight: 305.25307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14F3N3O3/c1-6(2)10(16)11(19)17-8-4-3-7(12(13,14)15)5-9(8)18(20)21/h3-6,10H,16H2,1-2H3,(H,17,19)