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

Systemtic Name: (Z)-2-diazonio-3-[2-(3,4-dimethoxyphenyl)ethyl-(2-prop-2-enylphenyl)carbonyl-amino]-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-[(2-allylbenzoyl)-[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-diazonio-1-ethoxy-3-oxo-prop-1-en-1-olate CAS Name: (Z)-2-diazonio-3-[2-(3,4-dimethoxyphenyl)ethyl-[oxo-(2-prop-2-enylphenyl)methyl]amino]-1-ethoxy-3-oxo-1-propen-1-olate IUPAC Name: (Z)-2-diazonio-3-[2-(3,4-dimethoxyphenyl)ethyl-(2-prop-2-enylbenzoyl)amino]-1-ethoxy-3-oxoprop-1-en-1-olate Traditional Name: (Z)-3-[(2-allylbenzoyl)-homoveratryl-amino]-2-diazonio-1-ethoxy-3-keto-prop-1-en-1-olate Formula: C25H27N3O6 MolecularWeight: 465.49838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)N(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC=CC=C2CC=C)[N+]#N)[O-]

Isomeric SMILES

CCO/C(=C(/C(=O)N(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC=CC=C2CC=C)\[N+]#N)/[O-]

InChI

InChI=1S/C25H27N3O6/c1-5-9-18-10-7-8-11-19(18)23(29)28(24(30)22(27-26)25(31)34-6-2)15-14-17-12-13-20(32-3)21(16-17)33-4/h5,7-8,10-13,16H,1,6,9,14-15H2,2-4H3