N-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylideneamino]-5-nitro-1-benzofuran-2-carboxamide

Systemtic Name: N-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylideneamino]-5-nitro-1-benzofuran-2-carboxamide Openeye Name: N-[(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)methyleneamino]-5-nitro-benzofuran-2-carboxamide CAS Name: N-[[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]methylideneamino]-5-nitro-2-benzofurancarboxamide IUPAC Name: N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-5-nitro-1-benzofuran-2-carboxamide Traditional Name: N-[(5-fluoro-2-methyl-4-pyrrolidino-benzylidene)amino]-5-nitro-coumarilamide Formula: C21H19FN4O4 MolecularWeight: 410.398363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=NNC(=O)C2=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])F)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1C=NNC(=O)C2=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])F)N4CCCC4

InChI

InChI=1S/C21H19FN4O4/c1-13-8-18(25-6-2-3-7-25)17(22)10-15(13)12-23-24-21(27)20-11-14-9-16(26(28)29)4-5-19(14)30-20/h4-5,8-12H,2-3,6-7H2,1H3,(H,24,27)