2-[[(4-methylphenyl)amino]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(4-methylphenyl)amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(4-methylanilino)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(4-methylanilino)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(4-methylanilino)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 5-nitro-2-(p-toluidinomethyl)isoindoline-1,3-quinone Formula: C16H13N3O4 MolecularWeight: 311.29212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4/c1-10-2-4-11(5-3-10)17-9-18-15(20)13-7-6-12(19(22)23)8-14(13)16(18)21/h2-8,17H,9H2,1H3