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

Systemtic Name: N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-phenyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[4-[5-(hydroxymethyl)-2-furyl]-3-methyl-phenyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[4-[5-(hydroxymethyl)-2-furanyl]-3-methylphenyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[3-methyl-4-(5-methylol-2-furyl)phenyl]-5-nitro-2-piperidino-benzamide Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C4=CC=C(O4)CO

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3)C4=CC=C(O4)CO

InChI

InChI=1S/C24H25N3O5/c1-16-13-17(5-8-20(16)23-10-7-19(15-28)32-23)25-24(29)21-14-18(27(30)31)6-9-22(21)26-11-3-2-4-12-26/h5-10,13-14,28H,2-4,11-12,15H2,1H3,(H,25,29)