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

Systemtic Name: 2-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-12(2)7-8-22-13(3)9-17(14(22)4)19(25)11-23-20(26)16-6-5-15(24(28)29)10-18(16)21(23)27/h5-6,9-10,12H,7-8,11H2,1-4H3