(E,3E)-3-diazo-1-diazonio-prop-1-en-2-olate; 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (E,3E)-3-diazo-1-diazonio-prop-1-en-2-olate; 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-phenyl-propanoic acid; (E,3E)-3-diazo-1-diazonio-prop-1-en-2-olate CAS Name: (E,3E)-3-diazo-1-diazonio-1-propen-2-olate; 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (E,3E)-3-diazo-1-diazonioprop-1-en-2-olate; 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid; (E,3E)-3-diazo-1-diazonio-prop-1-en-2-olate Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2.C(=C(C=[N+]=[N-])[O-])[N+]#N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2.C(=C(\C=[N+]=[N-])/[O-])\[N+]#N

InChI

InChI=1S/C17H17NO4.C3H2N4O/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14;4-6-1-3(8)2-7-5/h1-10,15H,11-12H2,(H,18,21)(H,19,20);1-2H/b;3-1+