(E,3S)-1-diazonio-3-(phenylmethoxycarbonylamino)-4-(4-phenylmethoxyphenyl)but-1-en-2-olate

Systemtic Name: (E,3S)-1-diazonio-3-(phenylmethoxycarbonylamino)-4-(4-phenylmethoxyphenyl)but-1-en-2-olate Openeye Name: (E,3S)-3-(benzyloxycarbonylamino)-4-(4-benzyloxyphenyl)-1-diazonio-but-1-en-2-olate CAS Name: (E,3S)-1-diazonio-3-(phenylmethoxycarbonylamino)-4-(4-phenylmethoxyphenyl)-1-buten-2-olate IUPAC Name: (E,3S)-1-diazonio-3-(phenylmethoxycarbonylamino)-4-(4-phenylmethoxyphenyl)but-1-en-2-olate Traditional Name: (E,3S)-4-(4-benzoxyphenyl)-3-(benzyloxycarbonylamino)-1-diazonio-but-1-en-2-olate Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(C(=C[N+]#N)[O-])NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C[C@@H](/C(=C\[N+]#N)/[O-])NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H23N3O4/c26-27-16-24(29)23(28-25(30)32-18-21-9-5-2-6-10-21)15-19-11-13-22(14-12-19)31-17-20-7-3-1-4-8-20/h1-14,16,23H,15,17-18H2,(H-,28,29,30)/b24-16+/t23-/m0/s1