2-[[bis(2-methylpropyl)amino]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[bis(2-methylpropyl)amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(diisobutylamino)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[bis(2-methylpropyl)amino]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[bis(2-methylpropyl)amino]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(diisobutylamino)methyl]-4-nitro-isoindoline-1,3-quinone Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CC(C)C)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O4/c1-11(2)8-18(9-12(3)4)10-19-16(21)13-6-5-7-14(20(23)24)15(13)17(19)22/h5-7,11-12H,8-10H2,1-4H3