(Z)-2-diazonio-3-[2-(3,4-dimethoxyphenyl)ethyl-hept-6-enoyl-amino]-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-2-diazonio-3-[2-(3,4-dimethoxyphenyl)ethyl-hept-6-enoyl-amino]-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (Z)-2-diazonio-3-[2-(3,4-dimethoxyphenyl)ethyl-hept-6-enoyl-amino]-1-ethoxy-3-oxo-prop-1-en-1-olate CAS Name: (Z)-2-diazonio-3-[2-(3,4-dimethoxyphenyl)ethyl-(1-oxohept-6-enyl)amino]-1-ethoxy-3-oxo-1-propen-1-olate IUPAC Name: (Z)-2-diazonio-3-[2-(3,4-dimethoxyphenyl)ethyl-hept-6-enoylamino]-1-ethoxy-3-oxoprop-1-en-1-olate Traditional Name: (Z)-2-diazonio-1-ethoxy-3-[hept-6-enoyl(homoveratryl)amino]-3-keto-prop-1-en-1-olate Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O6/c1-5-7-8-9-10-19(26)25(21(27)20(24-23)22(28)31-6-2)14-13-16-11-12-17(29-3)18(15-16)30-4/h5,11-12,15H,1,6-10,13-14H2,2-4H3