N'-[(4-bromanyl-3-nitro-phenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide

Systemtic Name: N'-[(4-bromanyl-3-nitro-phenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide Openeye Name: N'-[(4-bromo-3-nitro-phenyl)methyleneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide CAS Name: N'-[(4-bromo-3-nitrophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide IUPAC Name: N'-[(4-bromo-3-nitrophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide Traditional Name: N'-[(4-bromo-3-nitro-benzylidene)amino]-N-[3-(trifluoromethyl)phenyl]malonamide Formula: C17H12BrF3N4O4 MolecularWeight: 473.20079

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CC(=O)NN=CC2=CC(=C(C=C2)Br)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CC(=O)NN=CC2=CC(=C(C=C2)Br)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H12BrF3N4O4/c18-13-5-4-10(6-14(13)25(28)29)9-22-24-16(27)8-15(26)23-12-3-1-2-11(7-12)17(19,20)21/h1-7,9H,8H2,(H,23,26)(H,24,27)