2-[3-(3-methylphenoxy)-5-nitro-phenyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(3-methylphenoxy)-5-nitro-phenyl]isoindole-1,3-dione Openeye Name: 2-[3-(3-methylphenoxy)-5-nitro-phenyl]isoindoline-1,3-dione CAS Name: 2-[3-(3-methylphenoxy)-5-nitrophenyl]isoindole-1,3-dione IUPAC Name: 2-[3-(3-methylphenoxy)-5-nitrophenyl]isoindole-1,3-dione Traditional Name: 2-[3-(3-methylphenoxy)-5-nitro-phenyl]isoindoline-1,3-quinone Formula: C21H14N2O5 MolecularWeight: 374.34626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H14N2O5/c1-13-5-4-6-16(9-13)28-17-11-14(10-15(12-17)23(26)27)22-20(24)18-7-2-3-8-19(18)21(22)25/h2-12H,1H3