(E)-3-azanyl-2-[2-(3-nitrophenoxy)ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(3-nitrophenoxy)ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(3-nitrophenoxy)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-(3-nitrophenoxy)-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(3-nitrophenoxy)acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(3-nitrophenoxy)acetyl]but-2-enenitrile Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC1=CC=CC(=C1)[N+](=O)[O-])N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC1=CC=CC(=C1)[N+](=O)[O-])/N

InChI

InChI=1S/C12H11N3O4/c1-8(14)11(6-13)12(16)7-19-10-4-2-3-9(5-10)15(17)18/h2-5H,7,14H2,1H3/b11-8+