2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[2-(2,4-dimethylphenyl)oxazol-4-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[2-(2,4-dimethylphenyl)-4-oxazolyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[2-(2,4-dimethylphenyl)oxazol-4-yl]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C20H15N3O5 MolecularWeight: 377.3502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC(=CO2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC(=CO2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H15N3O5/c1-11-6-7-14(12(2)8-11)18-21-13(10-28-18)9-22-19(24)15-4-3-5-16(23(26)27)17(15)20(22)25/h3-8,10H,9H2,1-2H3