N-[4-chloranyl-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-chloranyl-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-chloro-3-[5-(hydroxymethyl)-2-furyl]phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[4-chloro-3-[5-(hydroxymethyl)-2-furanyl]phenyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-chloro-3-(5-methylol-2-furyl)phenyl]-5-nitro-2-pyrrolidino-benzamide Formula: C22H20ClN3O5 MolecularWeight: 441.8643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)Cl)C4=CC=C(O4)CO

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)Cl)C4=CC=C(O4)CO

InChI

InChI=1S/C22H20ClN3O5/c23-19-6-3-14(11-17(19)21-8-5-16(13-27)31-21)24-22(28)18-12-15(26(29)30)4-7-20(18)25-9-1-2-10-25/h3-8,11-12,27H,1-2,9-10,13H2,(H,24,28)