(E)-1-diazonio-3-oxidanylidene-5-phenyl-4-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pent-1-en-2-olate

Systemtic Name: (E)-1-diazonio-3-oxidanylidene-5-phenyl-4-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pent-1-en-2-olate Openeye Name: (E)-4-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-1-diazonio-3-oxo-5-phenyl-pent-1-en-2-olate CAS Name: (E)-1-diazonio-3-oxo-4-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-5-phenyl-1-penten-2-olate IUPAC Name: (E)-1-diazonio-3-oxo-5-phenyl-4-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pent-1-en-2-olate Traditional Name: (E)-4-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-1-diazonio-3-keto-5-phenyl-pent-1-en-2-olate Formula: C28H26N4O5 MolecularWeight: 498.52984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C(=C[N+]#N)[O-])NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)/C(=C\[N+]#N)/[O-])NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H26N4O5/c29-30-18-25(33)26(34)23(16-20-10-4-1-5-11-20)31-27(35)24(17-21-12-6-2-7-13-21)32-28(36)37-19-22-14-8-3-9-15-22/h1-15,18,23-24H,16-17,19H2,(H2-,31,32,33,35,36)/b25-18+