(E)-3-azanyl-2-[2-(2-methoxy-5-nitro-phenoxy)ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(2-methoxy-5-nitro-phenoxy)ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(2-methoxy-5-nitro-phenoxy)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-(2-methoxy-5-nitrophenoxy)-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(2-methoxy-5-nitrophenoxy)acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(2-methoxy-5-nitro-phenoxy)acetyl]but-2-enenitrile Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5/c1-8(15)10(6-14)11(17)7-21-13-5-9(16(18)19)3-4-12(13)20-2/h3-5H,7,15H2,1-2H3/b10-8+