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

Systemtic Name: N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-[5-(hydroxymethyl)-2-furyl]phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[3-[5-(hydroxymethyl)-2-furanyl]phenyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-(5-methylol-2-furyl)phenyl]-5-nitro-2-pyrrolidino-benzamide Formula: C22H21N3O5 MolecularWeight: 407.41924

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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=CC(=C3)C4=CC=C(O4)CO

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5/c26-14-18-7-9-21(30-18)15-4-3-5-16(12-15)23-22(27)19-13-17(25(28)29)6-8-20(19)24-10-1-2-11-24/h3-9,12-13,26H,1-2,10-11,14H2,(H,23,27)