(E)-2-diazonio-1-[1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-4-oxidanylidene-azetidin-2-yl]ethenolate

Systemtic Name: (E)-2-diazonio-1-[1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-4-oxidanylidene-azetidin-2-yl]ethenolate Openeye Name: (E)-2-diazonio-1-[1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-4-oxo-azetidin-2-yl]ethenolate CAS Name: (E)-2-diazonio-1-[1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-4-oxo-2-azetidinyl]ethenolate IUPAC Name: (E)-2-diazonio-1-[1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-4-oxoazetidin-2-yl]ethenolate Traditional Name: (E)-2-diazonio-1-[1-(2,4-dimethoxybenzyl)-3-ethyl-4-keto-azetidin-2-yl]ethenolate Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(N(C1=O)CC2=C(C=C(C=C2)OC)OC)C(=C[N+]#N)[O-]

Isomeric SMILES

CCC1C(N(C1=O)CC2=C(C=C(C=C2)OC)OC)/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C16H19N3O4/c1-4-12-15(13(20)8-18-17)19(16(12)21)9-10-5-6-11(22-2)7-14(10)23-3/h5-8,12,15H,4,9H2,1-3H3/b13-8+