2-[3-(hydroxymethyl)piperidin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[3-(hydroxymethyl)piperidin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[3-(hydroxymethyl)-1-piperidyl]-5-nitro-benzonitrile CAS Name: 2-[3-(hydroxymethyl)-1-piperidinyl]-5-nitrobenzonitrile IUPAC Name: 2-[3-(hydroxymethyl)piperidin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-(3-methylolpiperidino)-5-nitro-benzonitrile Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N)CO

Isomeric SMILES

C1CC(CN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N)CO

InChI

InChI=1S/C13H15N3O3/c14-7-11-6-12(16(18)19)3-4-13(11)15-5-1-2-10(8-15)9-17/h3-4,6,10,17H,1-2,5,8-9H2