1-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-5-nitro-pyridin-2-one

Systemtic Name: 1-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-5-nitro-pyridin-2-one Openeye Name: 1-[2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-nitro-pyridin-2-one CAS Name: 1-[2-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-oxoethyl]-5-nitro-2-pyridinone IUPAC Name: 1-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]-5-nitropyridin-2-one Traditional Name: 1-[2-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-5-nitro-2-pyridone Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O4/c1-12(2)7-8-20-13(3)9-16(14(20)4)17(22)11-19-10-15(21(24)25)5-6-18(19)23/h5-6,9-10,12H,7-8,11H2,1-4H3