N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-[1-[4-(1-azepanyl)phenyl]ethylideneamino]-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-nitro-4-(trifluoromethyl)aniline Traditional Name: [1-[4-(azepan-1-yl)phenyl]ethylideneamino]-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C21H23F3N4O2 MolecularWeight: 420.42813

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])C2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC(=NNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])C2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C21H23F3N4O2/c1-15(16-6-9-18(10-7-16)27-12-4-2-3-5-13-27)25-26-19-11-8-17(21(22,23)24)14-20(19)28(29)30/h6-11,14,26H,2-5,12-13H2,1H3