(E)-4-(3-azido-4-oxidanylidene-azetidin-2-yl)-2-diazonio-3-oxidanylidene-1-phenylmethoxy-but-1-en-1-olate

Systemtic Name: (E)-4-(3-azido-4-oxidanylidene-azetidin-2-yl)-2-diazonio-3-oxidanylidene-1-phenylmethoxy-but-1-en-1-olate Openeye Name: (E)-4-(3-azido-4-oxo-azetidin-2-yl)-1-benzyloxy-2-diazonio-3-oxo-but-1-en-1-olate CAS Name: (E)-4-(3-azido-4-oxo-2-azetidinyl)-2-diazonio-3-oxo-1-phenylmethoxy-1-buten-1-olate IUPAC Name: (E)-4-(3-azido-4-oxoazetidin-2-yl)-2-diazonio-3-oxo-1-phenylmethoxybut-1-en-1-olate Traditional Name: (E)-4-(3-azido-4-keto-azetidin-2-yl)-1-benzoxy-2-diazonio-3-keto-but-1-en-1-olate Formula: C14H12N6O4 MolecularWeight: 328.28288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=C(C(=O)CC2C(C(=O)N2)N=[N+]=[N-])[N+]#N)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CO/C(=C(\C(=O)CC2C(C(=O)N2)N=[N+]=[N-])/[N+]#N)/[O-]

InChI

InChI=1S/C14H12N6O4/c15-18-12(14(23)24-7-8-4-2-1-3-5-8)10(21)6-9-11(19-20-16)13(22)17-9/h1-5,9,11H,6-7H2,(H-,17,21,22,23)