(E)-1-diazonio-4-(phenylmethoxycarbonylamino)but-1-en-2-olate

Systemtic Name: (E)-1-diazonio-4-(phenylmethoxycarbonylamino)but-1-en-2-olate Openeye Name: (E)-4-(benzyloxycarbonylamino)-1-diazonio-but-1-en-2-olate CAS Name: (E)-1-diazonio-4-(phenylmethoxycarbonylamino)-1-buten-2-olate IUPAC Name: (E)-1-diazonio-4-(phenylmethoxycarbonylamino)but-1-en-2-olate Traditional Name: (E)-4-(benzyloxycarbonylamino)-1-diazonio-but-1-en-2-olate Formula: C12H13N3O3 MolecularWeight: 247.24992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3/c13-15-8-11(16)6-7-14-12(17)18-9-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H-,14,16,17)/b11-8+