2-(2-ethyl-6-methyl-phenyl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(2-ethyl-6-methyl-phenyl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(2-ethyl-6-methyl-phenyl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(2-ethyl-6-methylphenyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(2-ethyl-6-methylphenyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(2-ethyl-6-methyl-phenyl)-5-nitro-isoindoline-1,3-quinone Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H14N2O4/c1-3-11-6-4-5-10(2)15(11)18-16(20)13-8-7-12(19(22)23)9-14(13)17(18)21/h4-9H,3H2,1-2H3