N4-heptan-4-yl-6-methyl-3-nitro-N2-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine

Systemtic Name: N4-heptan-4-yl-6-methyl-3-nitro-N2-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine Openeye Name: 6-methyl-3-nitro-N4-(1-propylbutyl)-N2-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine CAS Name: N4-heptan-4-yl-6-methyl-3-nitro-N2-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine IUPAC Name: 4-N-heptan-4-yl-6-methyl-3-nitro-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine Traditional Name: [6-methyl-3-nitro-4-(1-propylbutylamino)-2-pyridyl]-[4-(trifluoromethyl)phenyl]amine Formula: C20H25F3N4O2 MolecularWeight: 410.43331

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC1=CC(=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(F)(F)F)C

Isomeric SMILES

CCCC(CCC)NC1=CC(=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(F)(F)F)C

InChI

InChI=1S/C20H25F3N4O2/c1-4-6-15(7-5-2)25-17-12-13(3)24-19(18(17)27(28)29)26-16-10-8-14(9-11-16)20(21,22)23/h8-12,15H,4-7H2,1-3H3,(H2,24,25,26)