2-(5-methyl-2-oxidanyl-phenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione

Systemtic Name: 2-(5-methyl-2-oxidanyl-phenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione Openeye Name: 2-(2-hydroxy-5-methyl-phenyl)-5-(3-nitrophenoxy)isoindoline-1,3-dione CAS Name: 2-(2-hydroxy-5-methylphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione IUPAC Name: 2-(2-hydroxy-5-methylphenyl)-5-(3-nitrophenoxy)isoindole-1,3-dione Traditional Name: 2-(2-hydroxy-5-methyl-phenyl)-5-(3-nitrophenoxy)isoindoline-1,3-quinone Formula: C21H14N2O6 MolecularWeight: 390.34566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O6/c1-12-5-8-19(24)18(9-12)22-20(25)16-7-6-15(11-17(16)21(22)26)29-14-4-2-3-13(10-14)23(27)28/h2-11,24H,1H3