N-[2-(3,4-dimethylphenoxy)-5-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-(3,4-dimethylphenoxy)-5-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(3,4-dimethylphenoxy)-5-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(3,4-dimethylphenoxy)-5-(trifluoromethyl)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(3,4-dimethylphenoxy)-5-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(3,4-dimethylphenoxy)-5-(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C26H24F3N3O4 MolecularWeight: 499.48167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C26H24F3N3O4/c1-16-5-8-20(13-17(16)2)36-24-10-7-19(26(27,28)29)15-21(24)30-25(33)18-6-9-22(23(14-18)32(34)35)31-11-3-4-12-31/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,30,33)