2-[[(5-chloranylthiophen-2-yl)methyl-methyl-amino]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(5-chloranylthiophen-2-yl)methyl-methyl-amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[(5-chloro-2-thienyl)methyl-methyl-amino]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[(5-chloro-2-thiophenyl)methyl-methylamino]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[(5-chloro-2-thienyl)methyl-methyl-amino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C15H12ClN3O4S MolecularWeight: 365.79148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(S1)Cl)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(S1)Cl)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12ClN3O4S/c1-17(7-10-3-5-13(16)24-10)8-18-14(20)11-4-2-9(19(22)23)6-12(11)15(18)21/h2-6H,7-8H2,1H3