2-[[(5-chloranyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(5-chloranyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[(5-chloro-2-methoxy-phenyl)methyl-methyl-amino]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[(5-chloro-2-methoxy-benzyl)-methyl-amino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C18H16ClN3O5 MolecularWeight: 389.78974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Cl)OC)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Cl)OC)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O5/c1-20(9-11-7-12(19)3-6-16(11)27-2)10-21-17(23)14-5-4-13(22(25)26)8-15(14)18(21)24/h3-8H,9-10H2,1-2H3