(Z)-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]-2-morpholin-4-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (Z)-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]-2-morpholin-4-ylcarbonyl-prop-2-enenitrile Openeye Name: (Z)-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]-2-(morpholine-4-carbonyl)prop-2-enenitrile CAS Name: (Z)-3-[4-(2-hydroxyethylthio)-3-nitrophenyl]-2-[4-morpholinyl(oxo)methyl]-2-propenenitrile IUPAC Name: (Z)-3-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]-2-(morpholine-4-carbonyl)prop-2-enenitrile Traditional Name: (Z)-3-[4-(2-hydroxyethylthio)-3-nitro-phenyl]-2-(morpholine-4-carbonyl)acrylonitrile Formula: C16H17N3O5S MolecularWeight: 363.38828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(=CC2=CC(=C(C=C2)SCCO)[N+](=O)[O-])C#N

Isomeric SMILES

C1COCCN1C(=O)/C(=C\C2=CC(=C(C=C2)SCCO)[N+](=O)[O-])/C#N

InChI

InChI=1S/C16H17N3O5S/c17-11-13(16(21)18-3-6-24-7-4-18)9-12-1-2-15(25-8-5-20)14(10-12)19(22)23/h1-2,9-10,20H,3-8H2/b13-9-