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

Systemtic Name: 3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-N-(pyridin-4-ylmethyl)propanamide Openeye Name: 3-[2-nitro-4-(trifluoromethyl)anilino]-N-(4-pyridylmethyl)propanamide CAS Name: 3-[2-nitro-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide IUPAC Name: 3-[2-nitro-4-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)propanamide Traditional Name: 3-[2-nitro-4-(trifluoromethyl)anilino]-N-(4-pyridylmethyl)propionamide Formula: C16H15F3N4O3 MolecularWeight: 368.31051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCCC(=O)NCC2=CC=NC=C2

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCCC(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C16H15F3N4O3/c17-16(18,19)12-1-2-13(14(9-12)23(25)26)21-8-5-15(24)22-10-11-3-6-20-7-4-11/h1-4,6-7,9,21H,5,8,10H2,(H,22,24)