N-[1-[3-[bis(fluoranyl)methoxy]phenyl]ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[1-[3-[bis(fluoranyl)methoxy]phenyl]ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-nitro-4-pyrrolidino-benzamide Formula: C20H21F2N3O4 MolecularWeight: 405.395246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)OC(F)F)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC(=CC=C1)OC(F)F)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21F2N3O4/c1-13(14-5-4-6-16(11-14)29-20(21)22)23-19(26)15-7-8-17(18(12-15)25(27)28)24-9-2-3-10-24/h4-8,11-13,20H,2-3,9-10H2,1H3,(H,23,26)