2-[(3,5-dimethylphenyl)methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(3,5-dimethylphenyl)methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(3,5-dimethylphenyl)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(3,5-dimethylphenyl)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(3,5-dimethylphenyl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-(3,5-dimethylbenzyl)-5-nitro-isoindoline-1,3-quinone Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H14N2O4/c1-10-5-11(2)7-12(6-10)9-18-16(20)14-4-3-13(19(22)23)8-15(14)17(18)21/h3-8H,9H2,1-2H3