N-heptan-4-yl-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: N-heptan-4-yl-2-nitro-4-(trifluoromethyl)aniline Openeye Name: 2-nitro-N-(1-propylbutyl)-4-(trifluoromethyl)aniline CAS Name: N-heptan-4-yl-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-heptan-4-yl-2-nitro-4-(trifluoromethyl)aniline Traditional Name: [2-nitro-4-(trifluoromethyl)phenyl]-(1-propylbutyl)amine Formula: C14H19F3N2O2 MolecularWeight: 304.30807

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCC(CCC)NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H19F3N2O2/c1-3-5-11(6-4-2)18-12-8-7-10(14(15,16)17)9-13(12)19(20)21/h7-9,11,18H,3-6H2,1-2H3