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

Systemtic Name: 2-[3-(hydroxymethyl)piperidin-1-yl]-5-nitro-benzaldehyde Openeye Name: 2-[3-(hydroxymethyl)-1-piperidyl]-5-nitro-benzaldehyde CAS Name: 2-[3-(hydroxymethyl)-1-piperidinyl]-5-nitrobenzaldehyde IUPAC Name: 2-[3-(hydroxymethyl)piperidin-1-yl]-5-nitrobenzaldehyde Traditional Name: 2-(3-methylolpiperidino)-5-nitro-benzaldehyde Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4/c16-8-10-2-1-5-14(7-10)13-4-3-12(15(18)19)6-11(13)9-17/h3-4,6,9-10,16H,1-2,5,7-8H2