2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[cyclopropyl(p-anisyl)amino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C20H19N3O5 MolecularWeight: 381.38196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)CN(CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4CC4

InChI

InChI=1S/C20H19N3O5/c1-28-15-9-5-13(6-10-15)11-21(14-7-8-14)12-22-19(24)16-3-2-4-17(23(26)27)18(16)20(22)25/h2-6,9-10,14H,7-8,11-12H2,1H3