1-methyl-2-(1-nitroheptan-2-yl)pyrrole

Systemtic Name: 1-methyl-2-(1-nitroheptan-2-yl)pyrrole Openeye Name: 1-methyl-2-[1-(nitromethyl)hexyl]pyrrole CAS Name: 1-methyl-2-(1-nitroheptan-2-yl)pyrrole IUPAC Name: 1-methyl-2-(1-nitroheptan-2-yl)pyrrole Traditional Name: 1-methyl-2-[1-(nitromethyl)hexyl]pyrrole Formula: C12H20N2O2 MolecularWeight: 224.2994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C[N+](=O)[O-])C1=CC=CN1C

Isomeric SMILES

CCCCCC(C[N+](=O)[O-])C1=CC=CN1C

InChI

InChI=1S/C12H20N2O2/c1-3-4-5-7-11(10-14(15)16)12-8-6-9-13(12)2/h6,8-9,11H,3-5,7,10H2,1-2H3