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

Systemtic Name: N-[3-chloranyl-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[3-chloro-4-[5-(hydroxymethyl)-2-furyl]phenyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[3-chloro-4-[5-(hydroxymethyl)-2-furanyl]phenyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[3-chloro-4-(5-methylol-2-furyl)phenyl]-5-nitro-2-piperidino-benzamide Formula: C23H22ClN3O5 MolecularWeight: 455.89088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)C4=CC=C(O4)CO)Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)C4=CC=C(O4)CO)Cl

InChI

InChI=1S/C23H22ClN3O5/c24-20-12-15(4-7-18(20)22-9-6-17(14-28)32-22)25-23(29)19-13-16(27(30)31)5-8-21(19)26-10-2-1-3-11-26/h4-9,12-13,28H,1-3,10-11,14H2,(H,25,29)