2-azanyl-N-[2-nitro-4-(trifluoromethyl)phenyl]pentanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14F3N3O3/c1-2-3-8(16)11(19)17-9-5-4-7(12(13,14)15)6-10(9)18(20)21/h4-6,8H,2-3,16H2,1H3,(H,17,19)