N-[(E)-[1-(2-methoxy-4-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[(E)-[1-(2-methoxy-4-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-(trifluoromethyl)benzamide Openeye Name: N-[(E)-[1-(2-methoxy-4-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-(trifluoromethyl)benzamide CAS Name: N-[(E)-[1-(2-methoxy-4-nitrophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-3-(trifluoromethyl)benzamide IUPAC Name: N-[(E)-[1-(2-methoxy-4-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-(trifluoromethyl)benzamide Traditional Name: N-[(E)-[1-(2-methoxy-4-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-(trifluoromethyl)benzamide Formula: C22H19F3N4O4 MolecularWeight: 460.40587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])OC)C)C=NNC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])OC)C)/C=N/NC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H19F3N4O4/c1-13-9-16(12-26-27-21(30)15-5-4-6-17(10-15)22(23,24)25)14(2)28(13)19-8-7-18(29(31)32)11-20(19)33-3/h4-12H,1-3H3,(H,27,30)/b26-12+