1-(6-chloranylpyridazin-3-yl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]piperidine-3-carboxamide

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-(6-chloropyridazin-3-yl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]piperidine-3-carboxamide CAS Name: 1-(6-chloro-3-pyridazinyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-(6-chloropyridazin-3-yl)-N-[(2-hydroxy-5-nitrophenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-(6-chloropyridazin-3-yl)-N-(2-hydroxy-5-nitro-benzyl)nipecotamide Formula: C17H18ClN5O4 MolecularWeight: 391.80892

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NN=C(C=C2)Cl)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CC(CN(C1)C2=NN=C(C=C2)Cl)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H18ClN5O4/c18-15-5-6-16(21-20-15)22-7-1-2-11(10-22)17(25)19-9-12-8-13(23(26)27)3-4-14(12)24/h3-6,8,11,24H,1-2,7,9-10H2,(H,19,25)