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

Systemtic Name: [2-(hydroxymethyl)piperidin-1-yl]-(1-methyl-4-nitro-pyrrol-2-yl)methanone Openeye Name: [2-(hydroxymethyl)-1-piperidyl]-(1-methyl-4-nitro-pyrrol-2-yl)methanone CAS Name: [2-(hydroxymethyl)-1-piperidinyl]-(1-methyl-4-nitro-2-pyrrolyl)methanone IUPAC Name: [2-(hydroxymethyl)piperidin-1-yl]-(1-methyl-4-nitropyrrol-2-yl)methanone Traditional Name: (1-methyl-4-nitro-pyrrol-2-yl)-(2-methylolpiperidino)methanone Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N2CCCCC2CO)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)N2CCCCC2CO)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O4/c1-13-7-10(15(18)19)6-11(13)12(17)14-5-3-2-4-9(14)8-16/h6-7,9,16H,2-5,8H2,1H3