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

Systemtic Name: N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxy-phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[5-[5-(hydroxymethyl)-2-furyl]-2-methoxy-phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[5-[5-(hydroxymethyl)-2-furanyl]-2-methoxyphenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[2-methoxy-5-(5-methylol-2-furyl)phenyl]-3-nitro-4-piperidino-benzamide Formula: C24H25N3O6 MolecularWeight: 451.4718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(O2)CO)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(O2)CO)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H25N3O6/c1-32-23-9-6-16(22-10-7-18(15-28)33-22)13-19(23)25-24(29)17-5-8-20(21(14-17)27(30)31)26-11-3-2-4-12-26/h5-10,13-14,28H,2-4,11-12,15H2,1H3,(H,25,29)