2-morpholin-4-ylcarbonyl-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: 2-morpholin-4-ylcarbonyl-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: 3-(4-hydroxy-3-nitro-phenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile CAS Name: 3-(4-hydroxy-3-nitrophenyl)-2-[4-morpholinyl(oxo)methyl]-2-propenenitrile IUPAC Name: 3-(4-hydroxy-3-nitrophenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile Traditional Name: 3-(4-hydroxy-3-nitro-phenyl)-2-(morpholine-4-carbonyl)acrylonitrile Formula: C14H13N3O5 MolecularWeight: 303.27012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5/c15-9-11(14(19)16-3-5-22-6-4-16)7-10-1-2-13(18)12(8-10)17(20)21/h1-2,7-8,18H,3-6H2