N-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylideneamino]-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylideneamino]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)methyleneamino]-2-(2-nitrophenoxy)acetamide CAS Name: N-[[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]methylideneamino]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[(5-fluoro-2-methyl-4-pyrrolidino-benzylidene)amino]-2-(2-nitrophenoxy)acetamide Formula: C20H21FN4O4 MolecularWeight: 400.403543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=NNC(=O)COC2=CC=CC=C2[N+](=O)[O-])F)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1C=NNC(=O)COC2=CC=CC=C2[N+](=O)[O-])F)N3CCCC3

InChI

InChI=1S/C20H21FN4O4/c1-14-10-18(24-8-4-5-9-24)16(21)11-15(14)12-22-23-20(26)13-29-19-7-3-2-6-17(19)25(27)28/h2-3,6-7,10-12H,4-5,8-9,13H2,1H3,(H,23,26)