N-[(4-methylphenyl)methyl]-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanamide Openeye Name: 3-[2-nitro-4-(trifluoromethyl)anilino]-N-(p-tolylmethyl)propanamide CAS Name: N-[(4-methylphenyl)methyl]-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide IUPAC Name: N-[(4-methylphenyl)methyl]-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide Traditional Name: N-(4-methylbenzyl)-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)CNC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N3O3/c1-12-2-4-13(5-3-12)11-23-17(25)8-9-22-15-7-6-14(18(19,20)21)10-16(15)24(26)27/h2-7,10,22H,8-9,11H2,1H3,(H,23,25)