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

Systemtic Name: 2-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[(4-tert-butylbenzyl)-methyl-amino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-21(2,3)15-7-5-14(6-8-15)12-22(4)13-23-19(25)17-10-9-16(24(27)28)11-18(17)20(23)26/h5-11H,12-13H2,1-4H3