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

Systemtic Name: (E)-3-azanyl-2-[2-(2-nitrophenoxy)ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(2-nitrophenoxy)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-(2-nitrophenoxy)-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(2-nitrophenoxy)acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(2-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)9(6-13)11(16)7-19-12-5-3-2-4-10(12)15(17)18/h2-5H,7,14H2,1H3/b9-8+