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

Systemtic Name: (Z)-3-[(3,4-dimethoxyphenyl)methyl-hex-5-enoyl-amino]-1-ethoxy-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium Openeye Name: (Z)-3-[(3,4-dimethoxyphenyl)methyl-hex-5-enoyl-amino]-1-ethoxy-1-hydroxy-3-oxo-prop-1-ene-2-diazonium CAS Name: (Z)-3-[(3,4-dimethoxyphenyl)methyl-(1-oxohex-5-enyl)amino]-1-ethoxy-1-hydroxy-3-oxo-1-propene-2-diazonium IUPAC Name: (Z)-3-[(3,4-dimethoxyphenyl)methyl-hex-5-enoylamino]-1-ethoxy-1-hydroxy-3-oxoprop-1-ene-2-diazonium Traditional Name: (Z)-1-ethoxy-3-[hex-5-enoyl(veratryl)amino]-1-hydroxy-3-keto-prop-1-ene-2-diazonium Formula: C20H26N3O6+ MolecularWeight: 404.43694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)N(CC1=CC(=C(C=C1)OC)OC)C(=O)CCCC=C)[N+]#N)O

Isomeric SMILES

CCO/C(=C(/C(=O)N(CC1=CC(=C(C=C1)OC)OC)C(=O)CCCC=C)\[N+]#N)/O

InChI

InChI=1S/C20H25N3O6/c1-5-7-8-9-17(24)23(19(25)18(22-21)20(26)29-6-2)13-14-10-11-15(27-3)16(12-14)28-4/h5,10-12H,1,6-9,13H2,2-4H3/p+1