[2-(hydroxymethyl)piperidin-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [2-(hydroxymethyl)piperidin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [2-(hydroxymethyl)-1-piperidyl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [2-(hydroxymethyl)-1-piperidinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [2-(hydroxymethyl)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: (4-methyl-3-nitro-phenyl)-(2-methylolpiperidino)methanone Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCCC2CO)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCCC2CO)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O4/c1-10-5-6-11(8-13(10)16(19)20)14(18)15-7-3-2-4-12(15)9-17/h5-6,8,12,17H,2-4,7,9H2,1H3