1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C18H26N4O3 MolecularWeight: 346.42404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H26N4O3/c1-11(2)7-8-20-12(3)9-16(14(20)5)17(23)10-21-15(6)18(22(24)25)13(4)19-21/h9,11H,7-8,10H2,1-6H3