N-[(E)-(5-bromanyl-2,4-dimethoxy-phenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: N-[(E)-(5-bromanyl-2,4-dimethoxy-phenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-[(E)-(5-bromo-2,4-dimethoxy-phenyl)methyleneamino]-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline Traditional Name: [(E)-(5-bromo-2,4-dimethoxy-benzylidene)amino]-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C16H13BrF3N3O4 MolecularWeight: 448.19133

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=NNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=N/NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Br)OC

InChI

InChI=1S/C16H13BrF3N3O4/c1-26-14-7-15(27-2)11(17)5-9(14)8-21-22-12-4-3-10(16(18,19)20)6-13(12)23(24)25/h3-8,22H,1-2H3/b21-8+