2-[methyl(2-methylbutyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[methyl(2-methylbutyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone Openeye Name: 2-[methyl(2-methylbutyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone CAS Name: 2-[methyl(2-methylbutyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[methyl(2-methylbutyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone Traditional Name: 2-[methyl(2-methylbutyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone Formula: C12H19N3O3 MolecularWeight: 253.29756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN(C)CC(=O)C1=CC(=CN1)[N+](=O)[O-]

Isomeric SMILES

CCC(C)CN(C)CC(=O)C1=CC(=CN1)[N+](=O)[O-]

InChI

InChI=1S/C12H19N3O3/c1-4-9(2)7-14(3)8-12(16)11-5-10(6-13-11)15(17)18/h5-6,9,13H,4,7-8H2,1-3H3