N-[(E)-(3-methyl-4-pyrrolidin-1-yl-phenyl)methylideneamino]-5-nitro-1-benzofuran-2-carboxamide

Systemtic Name: N-[(E)-(3-methyl-4-pyrrolidin-1-yl-phenyl)methylideneamino]-5-nitro-1-benzofuran-2-carboxamide Openeye Name: N-[(E)-(3-methyl-4-pyrrolidin-1-yl-phenyl)methyleneamino]-5-nitro-benzofuran-2-carboxamide CAS Name: N-[(E)-[3-methyl-4-(1-pyrrolidinyl)phenyl]methylideneamino]-5-nitro-2-benzofurancarboxamide IUPAC Name: N-[(E)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-5-nitro-1-benzofuran-2-carboxamide Traditional Name: N-[(E)-(3-methyl-4-pyrrolidino-benzylidene)amino]-5-nitro-coumarilamide Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=NNC(=O)C2=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C21H20N4O4/c1-14-10-15(4-6-18(14)24-8-2-3-9-24)13-22-23-21(26)20-12-16-11-17(25(27)28)5-7-19(16)29-20/h4-7,10-13H,2-3,8-9H2,1H3,(H,23,26)/b22-13+