N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

Systemtic Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide Openeye Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide CAS Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-5-(1-pyrrolidinylmethyl)-2-furancarboxamide IUPAC Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide Traditional Name: N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-5-(pyrrolidinomethyl)-2-furamide Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(O3)CN4CCCC4)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(O3)CN4CCCC4)C)C

InChI

InChI=1S/C25H27N3O5/c1-16-10-17(2)18(3)24(11-16)33-22-13-19(12-20(14-22)28(30)31)26-25(29)23-7-6-21(32-23)15-27-8-4-5-9-27/h6-7,10-14H,4-5,8-9,15H2,1-3H3,(H,26,29)