3-nitro-4-(4-oxidanylpiperidin-1-yl)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(4-oxidanylpiperidin-1-yl)benzenecarbonitrile Openeye Name: 4-(4-hydroxy-1-piperidyl)-3-nitro-benzonitrile CAS Name: 4-(4-hydroxy-1-piperidinyl)-3-nitrobenzonitrile IUPAC Name: 4-(4-hydroxypiperidin-1-yl)-3-nitrobenzonitrile Traditional Name: 4-(4-hydroxypiperidino)-3-nitro-benzonitrile Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1O)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3/c13-8-9-1-2-11(12(7-9)15(17)18)14-5-3-10(16)4-6-14/h1-2,7,10,16H,3-6H2