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

Systemtic Name: 2-[[3,4-bis(trifluoromethyl)phenyl]amino]-N-(cyanomethyl)propanamide Openeye Name: 2-[3,4-bis(trifluoromethyl)anilino]-N-(cyanomethyl)propanamide CAS Name: 2-[3,4-bis(trifluoromethyl)anilino]-N-(cyanomethyl)propanamide IUPAC Name: 2-[3,4-bis(trifluoromethyl)anilino]-N-(cyanomethyl)propanamide Traditional Name: 2-[3,4-bis(trifluoromethyl)anilino]-N-(cyanomethyl)propionamide Formula: C13H11F6N3O MolecularWeight: 339.236359

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#N)NC1=CC(=C(C=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C(=O)NCC#N)NC1=CC(=C(C=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H11F6N3O/c1-7(11(23)21-5-4-20)22-8-2-3-9(12(14,15)16)10(6-8)13(17,18)19/h2-3,6-7,22H,5H2,1H3,(H,21,23)