2-[[(4-tert-butylphenyl)amino]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(4-tert-butylphenyl)amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(4-tert-butylanilino)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(4-tert-butylanilino)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(4-tert-butylanilino)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(4-tert-butylanilino)methyl]-4-nitro-isoindoline-1,3-quinone Formula: C19H19N3O4 MolecularWeight: 353.37186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4/c1-19(2,3)12-7-9-13(10-8-12)20-11-21-17(23)14-5-4-6-15(22(25)26)16(14)18(21)24/h4-10,20H,11H2,1-3H3