3-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)propanenitrile

Systemtic Name: 3-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)propanenitrile Openeye Name: 3-(4-morpholinosulfonyl-2-nitro-phenoxy)propanenitrile CAS Name: 3-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]propanenitrile IUPAC Name: 3-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)propanenitrile Traditional Name: 3-(4-morpholinosulfonyl-2-nitro-phenoxy)propionitrile Formula: C13H15N3O6S MolecularWeight: 341.3397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O6S/c14-4-1-7-22-13-3-2-11(10-12(13)16(17)18)23(19,20)15-5-8-21-9-6-15/h2-3,10H,1,5-9H2