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

Systemtic Name: 1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-(4-nitroimidazol-1-yl)ethanone Openeye Name: 1-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-nitroimidazol-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-(4-nitro-1-imidazolyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-(4-nitroimidazol-1-yl)ethanone Traditional Name: 1-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-nitroimidazol-1-yl)ethanone Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)CN2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)CN2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O3/c1-11(2)5-6-19-12(3)7-14(13(19)4)15(21)8-18-9-16(17-10-18)20(22)23/h7,9-11H,5-6,8H2,1-4H3