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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C4=CC=C(O4)CO

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C4=CC=C(O4)CO

InChI

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