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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCC(C2)CO)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCCC(C2)CO)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O4/c1-10-7-12(4-5-13(10)16(19)20)14(18)15-6-2-3-11(8-15)9-17/h4-5,7,11,17H,2-3,6,8-9H2,1H3