4-nitro-N-(1-oxidanylbutan-2-yl)-1-propan-2-yl-pyrrole-2-carboxamide

Systemtic Name: 4-nitro-N-(1-oxidanylbutan-2-yl)-1-propan-2-yl-pyrrole-2-carboxamide Openeye Name: N-[1-(hydroxymethyl)propyl]-1-isopropyl-4-nitro-pyrrole-2-carboxamide CAS Name: N-(1-hydroxybutan-2-yl)-4-nitro-1-propan-2-yl-2-pyrrolecarboxamide IUPAC Name: N-(1-hydroxybutan-2-yl)-4-nitro-1-propan-2-ylpyrrole-2-carboxamide Traditional Name: 1-isopropyl-N-(1-methylolpropyl)-4-nitro-pyrrole-2-carboxamide Formula: C12H19N3O4 MolecularWeight: 269.29696

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC(=O)C1=CC(=CN1C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC(CO)NC(=O)C1=CC(=CN1C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H19N3O4/c1-4-9(7-16)13-12(17)11-5-10(15(18)19)6-14(11)8(2)3/h5-6,8-9,16H,4,7H2,1-3H3,(H,13,17)