(E)-2-diazonio-1-[3-(3,4-dimethoxyphenyl)propoxy]-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: (E)-2-diazonio-1-[3-(3,4-dimethoxyphenyl)propoxy]-3-oxidanylidene-but-1-en-1-olate Openeye Name: (E)-2-diazonio-1-[3-(3,4-dimethoxyphenyl)propoxy]-3-oxo-but-1-en-1-olate CAS Name: (E)-2-diazonio-1-[3-(3,4-dimethoxyphenyl)propoxy]-3-oxo-1-buten-1-olate IUPAC Name: (E)-2-diazonio-1-[3-(3,4-dimethoxyphenyl)propoxy]-3-oxobut-1-en-1-olate Traditional Name: (E)-2-diazonio-1-[3-(3,4-dimethoxyphenyl)propoxy]-3-keto-but-1-en-1-olate Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C([O-])OCCCC1=CC(=C(C=C1)OC)OC)[N+]#N

Isomeric SMILES

CC(=O)/C(=C(/[O-])\OCCCC1=CC(=C(C=C1)OC)OC)/[N+]#N

InChI

InChI=1S/C15H18N2O5/c1-10(18)14(17-16)15(19)22-8-4-5-11-6-7-12(20-2)13(9-11)21-3/h6-7,9H,4-5,8H2,1-3H3