2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanenitrile

Systemtic Name: 2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanenitrile Openeye Name: 2-(4-morpholinosulfonyl-2-nitro-phenoxy)acetonitrile CAS Name: 2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]acetonitrile IUPAC Name: 2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetonitrile Traditional Name: 2-(4-morpholinosulfonyl-2-nitro-phenoxy)acetonitrile Formula: C12H13N3O6S MolecularWeight: 327.31312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O6S/c13-3-6-21-12-2-1-10(9-11(12)15(16)17)22(18,19)14-4-7-20-8-5-14/h1-2,9H,4-8H2