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

Systemtic Name: 2-[2-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[2,5-dimethyl-1-(3-nitrophenyl)-3-pyrrolyl]-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]-2-keto-ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C22H16N4O7 MolecularWeight: 448.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O7/c1-12-8-18(13(2)24(12)14-4-3-5-15(9-14)25(30)31)20(27)11-23-21(28)17-7-6-16(26(32)33)10-19(17)22(23)29/h3-10H,11H2,1-2H3