(Z,3S)-7-azanyl-1-diazonio-3-(phenylmethoxycarbonylamino)hept-1-en-2-olate

Systemtic Name: (Z,3S)-7-azanyl-1-diazonio-3-(phenylmethoxycarbonylamino)hept-1-en-2-olate Openeye Name: (Z,3S)-7-amino-3-(benzyloxycarbonylamino)-1-diazonio-hept-1-en-2-olate CAS Name: (Z,3S)-7-amino-1-diazonio-3-(phenylmethoxycarbonylamino)-1-hepten-2-olate IUPAC Name: (Z,3S)-7-amino-1-diazonio-3-(phenylmethoxycarbonylamino)hept-1-en-2-olate Traditional Name: (Z,3S)-7-amino-3-(benzyloxycarbonylamino)-1-diazonio-hept-1-en-2-olate Formula: C15H20N4O3 MolecularWeight: 304.3443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCCN)/C(=C/[N+]#N)/[O-]

InChI

InChI=1S/C15H20N4O3/c16-9-5-4-8-13(14(20)10-18-17)19-15(21)22-11-12-6-2-1-3-7-12/h1-3,6-7,10,13H,4-5,8-9,11,16H2,(H-,19,20,21)/b14-10-/t13-/m0/s1