N-[2-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-[4-(difluoromethoxy)-3-methoxy-phenyl]ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-[4-(difluoromethoxy)-3-methoxy-phenyl]ethyl]-3-nitro-4-pyrrolidino-benzamide Formula: C21H23F2N3O5 MolecularWeight: 435.421226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)CCNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C21H23F2N3O5/c1-30-19-12-14(4-7-18(19)31-21(22)23)8-9-24-20(27)15-5-6-16(17(13-15)26(28)29)25-10-2-3-11-25/h4-7,12-13,21H,2-3,8-11H2,1H3,(H,24,27)