2-(2,6-dimethyl-3-nitro-phenyl)isoindole-1,3-dione

Systemtic Name: 2-(2,6-dimethyl-3-nitro-phenyl)isoindole-1,3-dione Openeye Name: 2-(2,6-dimethyl-3-nitro-phenyl)isoindoline-1,3-dione CAS Name: 2-(2,6-dimethyl-3-nitrophenyl)isoindole-1,3-dione IUPAC Name: 2-(2,6-dimethyl-3-nitrophenyl)isoindole-1,3-dione Traditional Name: 2-(2,6-dimethyl-3-nitro-phenyl)isoindoline-1,3-quinone Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H12N2O4/c1-9-7-8-13(18(21)22)10(2)14(9)17-15(19)11-5-3-4-6-12(11)16(17)20/h3-8H,1-2H3