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

Systemtic Name: 4-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)butanenitrile Openeye Name: 4-(4-morpholinosulfonyl-2-nitro-phenoxy)butanenitrile CAS Name: 4-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]butanenitrile IUPAC Name: 4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)butanenitrile Traditional Name: 4-(4-morpholinosulfonyl-2-nitro-phenoxy)butyronitrile Formula: C14H17N3O6S MolecularWeight: 355.36628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O6S/c15-5-1-2-8-23-14-4-3-12(11-13(14)17(18)19)24(20,21)16-6-9-22-10-7-16/h3-4,11H,1-2,6-10H2