2-[2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C24H21N3O5 MolecularWeight: 431.44064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C)C

InChI

InChI=1S/C24H21N3O5/c1-13-5-6-17(9-14(13)2)26-15(3)10-20(16(26)4)22(28)12-25-23(29)19-8-7-18(27(31)32)11-21(19)24(25)30/h5-11H,12H2,1-4H3