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

Systemtic Name: N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-ethyl-N-(3-fluoro-4-methoxy-benzyl)-3-nitro-4-pyrrolidino-benzamide Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24FN3O4/c1-3-23(14-15-6-9-20(29-2)17(22)12-15)21(26)16-7-8-18(19(13-16)25(27)28)24-10-4-5-11-24/h6-9,12-13H,3-5,10-11,14H2,1-2H3