[2-(hydroxymethyl)piperidin-1-yl]-(4-nitro-1-propan-2-yl-pyrrol-2-yl)methanone

Systemtic Name: [2-(hydroxymethyl)piperidin-1-yl]-(4-nitro-1-propan-2-yl-pyrrol-2-yl)methanone Openeye Name: [2-(hydroxymethyl)-1-piperidyl]-(1-isopropyl-4-nitro-pyrrol-2-yl)methanone CAS Name: [2-(hydroxymethyl)-1-piperidinyl]-(4-nitro-1-propan-2-yl-2-pyrrolyl)methanone IUPAC Name: [2-(hydroxymethyl)piperidin-1-yl]-(4-nitro-1-propan-2-ylpyrrol-2-yl)methanone Traditional Name: (1-isopropyl-4-nitro-pyrrol-2-yl)-(2-methylolpiperidino)methanone Formula: C14H21N3O4 MolecularWeight: 295.33424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=C1C(=O)N2CCCCC2CO)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C=C(C=C1C(=O)N2CCCCC2CO)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O4/c1-10(2)16-8-12(17(20)21)7-13(16)14(19)15-6-4-3-5-11(15)9-18/h7-8,10-11,18H,3-6,9H2,1-2H3