N-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-4-(1-piperidylmethyl)benzamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(1-piperidinylmethyl)benzamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-4-(piperidinomethyl)benzamide Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H23N3O4/c24-19-9-8-18(23(26)27)12-17(19)13-21-20(25)16-6-4-15(5-7-16)14-22-10-2-1-3-11-22/h4-9,12,24H,1-3,10-11,13-14H2,(H,21,25)