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

Systemtic Name: [3-(hydroxymethyl)piperidin-1-yl]-(4-nitro-1-propan-2-yl-pyrrol-2-yl)methanone Openeye Name: [3-(hydroxymethyl)-1-piperidyl]-(1-isopropyl-4-nitro-pyrrol-2-yl)methanone CAS Name: [3-(hydroxymethyl)-1-piperidinyl]-(4-nitro-1-propan-2-yl-2-pyrrolyl)methanone IUPAC Name: [3-(hydroxymethyl)piperidin-1-yl]-(4-nitro-1-propan-2-ylpyrrol-2-yl)methanone Traditional Name: (1-isopropyl-4-nitro-pyrrol-2-yl)-(3-methylolpiperidino)methanone Formula: C14H21N3O4 MolecularWeight: 295.33424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=C1C(=O)N2CCCC(C2)CO)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C=C(C=C1C(=O)N2CCCC(C2)CO)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O4/c1-10(2)16-8-12(17(20)21)6-13(16)14(19)15-5-3-4-11(7-15)9-18/h6,8,10-11,18H,3-5,7,9H2,1-2H3