(Z)-3-[2-(3,4-dimethoxyphenyl)ethyl-hex-5-enoyl-amino]-1-ethoxy-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium

Systemtic Name: (Z)-3-[2-(3,4-dimethoxyphenyl)ethyl-hex-5-enoyl-amino]-1-ethoxy-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium Openeye Name: (Z)-3-[2-(3,4-dimethoxyphenyl)ethyl-hex-5-enoyl-amino]-1-ethoxy-1-hydroxy-3-oxo-prop-1-ene-2-diazonium CAS Name: (Z)-3-[2-(3,4-dimethoxyphenyl)ethyl-(1-oxohex-5-enyl)amino]-1-ethoxy-1-hydroxy-3-oxo-1-propene-2-diazonium IUPAC Name: (Z)-3-[2-(3,4-dimethoxyphenyl)ethyl-hex-5-enoylamino]-1-ethoxy-1-hydroxy-3-oxoprop-1-ene-2-diazonium Traditional Name: (Z)-1-ethoxy-3-[hex-5-enoyl(homoveratryl)amino]-1-hydroxy-3-keto-prop-1-ene-2-diazonium Formula: C21H28N3O6+ MolecularWeight: 418.46352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)N(CCC1=CC(=C(C=C1)OC)OC)C(=O)CCCC=C)[N+]#N)O

Isomeric SMILES

CCO/C(=C(/C(=O)N(CCC1=CC(=C(C=C1)OC)OC)C(=O)CCCC=C)\[N+]#N)/O

InChI

InChI=1S/C21H27N3O6/c1-5-7-8-9-18(25)24(20(26)19(23-22)21(27)30-6-2)13-12-15-10-11-16(28-3)17(14-15)29-4/h5,10-11,14H,1,6-9,12-13H2,2-4H3/p+1