(E)-2-diazonio-1-[3-(3-methoxy-4-phenylmethoxy-phenyl)propoxy]-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: (E)-2-diazonio-1-[3-(3-methoxy-4-phenylmethoxy-phenyl)propoxy]-3-oxidanylidene-but-1-en-1-olate Openeye Name: (E)-1-[3-(4-benzyloxy-3-methoxy-phenyl)propoxy]-2-diazonio-3-oxo-but-1-en-1-olate CAS Name: (E)-2-diazonio-1-[3-(3-methoxy-4-phenylmethoxyphenyl)propoxy]-3-oxo-1-buten-1-olate IUPAC Name: (E)-2-diazonio-1-[3-(3-methoxy-4-phenylmethoxyphenyl)propoxy]-3-oxobut-1-en-1-olate Traditional Name: (E)-1-[3-(4-benzoxy-3-methoxy-phenyl)propoxy]-2-diazonio-3-keto-but-1-en-1-olate Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C([O-])OCCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)[N+]#N

Isomeric SMILES

CC(=O)/C(=C(/[O-])\OCCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)/[N+]#N

InChI

InChI=1S/C21H22N2O5/c1-15(24)20(23-22)21(25)27-12-6-9-16-10-11-18(19(13-16)26-2)28-14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3