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

Systemtic Name: 2-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C23H17N3O7 MolecularWeight: 447.39698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O7/c1-12-8-16(13(2)25(12)14-6-7-19-20(9-14)33-11-32-19)18(27)10-24-22(28)15-4-3-5-17(26(30)31)21(15)23(24)29/h3-9H,10-11H2,1-2H3