N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

Systemtic Name: N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide Openeye Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide CAS Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-5-(1-pyrrolidinylmethyl)-2-furancarboxamide IUPAC Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide Traditional Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-5-(pyrrolidinomethyl)-2-furamide Formula: C23H22ClN3O5 MolecularWeight: 455.89088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3O5/c1-15-10-18(4-6-21(15)24)31-20-12-16(11-17(13-20)27(29)30)25-23(28)22-7-5-19(32-22)14-26-8-2-3-9-26/h4-7,10-13H,2-3,8-9,14H2,1H3,(H,25,28)