2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[(4-isopropylphenyl)methyl-methyl-amino]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[(4-isopropylbenzyl)-methyl-amino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4/c1-13(2)15-9-7-14(8-10-15)11-21(3)12-22-19(24)16-5-4-6-17(23(26)27)18(16)20(22)25/h4-10,13H,11-12H2,1-3H3