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

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C19H15F6N3O3 MolecularWeight: 447.331119

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H15F6N3O3/c20-18(21,22)12-8-13(19(23,24)25)10-14(9-12)26-17(29)11-3-4-15(16(7-11)28(30)31)27-5-1-2-6-27/h3-4,7-10H,1-2,5-6H2,(H,26,29)