2-[(3-methylphenyl)methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(3-methylphenyl)methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-(m-tolylmethyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(3-methylphenyl)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(3-methylphenyl)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-(3-methylbenzyl)-4-nitro-isoindoline-1,3-quinone Formula: C16H12N2O4 MolecularWeight: 296.27748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O4/c1-10-4-2-5-11(8-10)9-17-15(19)12-6-3-7-13(18(21)22)14(12)16(17)20/h2-8H,9H2,1H3