N-(2,4-dimethylphenyl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanamide

Systemtic Name: N-(2,4-dimethylphenyl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanamide Openeye Name: N-(2,4-dimethylphenyl)-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide CAS Name: N-(2,4-dimethylphenyl)-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide IUPAC Name: N-(2,4-dimethylphenyl)-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide Traditional Name: N-(2,4-dimethylphenyl)-3-[2-nitro-4-(trifluoromethyl)anilino]propionamide Formula: C18H18F3N3O3 MolecularWeight: 381.34903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C18H18F3N3O3/c1-11-3-5-14(12(2)9-11)23-17(25)7-8-22-15-6-4-13(18(19,20)21)10-16(15)24(26)27/h3-6,9-10,22H,7-8H2,1-2H3,(H,23,25)