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

Systemtic Name: N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-3-pyridin-3-yl-propanamide Openeye Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-(3-pyridyl)propanamide CAS Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-(3-pyridinyl)propanamide IUPAC Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-pyridin-3-ylpropanamide Traditional Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-(3-pyridyl)propionamide Formula: C17H17F3N4O3 MolecularWeight: 382.33709

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCC(=O)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CCC(=O)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17F3N4O3/c18-17(19,20)13-4-5-14(15(10-13)24(26)27)22-8-9-23-16(25)6-3-12-2-1-7-21-11-12/h1-2,4-5,7,10-11,22H,3,6,8-9H2,(H,23,25)