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

Systemtic Name: 2-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O5/c1-14-10-19(15(2)24(14)12-16-6-4-3-5-7-16)21(27)13-25-22(28)18-9-8-17(26(30)31)11-20(18)23(25)29/h3-11H,12-13H2,1-2H3