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

Systemtic Name: N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methyl-phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[5-[5-(hydroxymethyl)-2-furyl]-2-methyl-phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[5-[5-(hydroxymethyl)-2-furanyl]-2-methylphenyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-methyl-5-(5-methylol-2-furyl)phenyl]-5-nitro-2-pyrrolidino-benzamide Formula: C23H23N3O5 MolecularWeight: 421.44582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5/c1-15-4-5-16(22-9-7-18(14-27)31-22)12-20(15)24-23(28)19-13-17(26(29)30)6-8-21(19)25-10-2-3-11-25/h4-9,12-13,27H,2-3,10-11,14H2,1H3,(H,24,28)