(Z)-2-diazonio-2-[2-[(6-ethenyl-1,3-benzodioxol-5-yl)methyl-methyl-carbamoyl]phenyl]-1-ethoxy-ethenolate

Systemtic Name: (Z)-2-diazonio-2-[2-[(6-ethenyl-1,3-benzodioxol-5-yl)methyl-methyl-carbamoyl]phenyl]-1-ethoxy-ethenolate Openeye Name: (Z)-2-diazonio-1-ethoxy-2-[2-[methyl-[(6-vinyl-1,3-benzodioxol-5-yl)methyl]carbamoyl]phenyl]ethenolate CAS Name: (Z)-2-diazonio-2-[2-[[(6-ethenyl-1,3-benzodioxol-5-yl)methyl-methylamino]-oxomethyl]phenyl]-1-ethoxyethenolate IUPAC Name: (Z)-2-diazonio-2-[2-[(6-ethenyl-1,3-benzodioxol-5-yl)methyl-methylcarbamoyl]phenyl]-1-ethoxyethenolate Traditional Name: (Z)-2-diazonio-1-ethoxy-2-[2-[methyl-[(6-vinyl-1,3-benzodioxol-5-yl)methyl]carbamoyl]phenyl]ethenolate Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C1=CC=CC=C1C(=O)N(C)CC2=CC3=C(C=C2C=C)OCO3)[N+]#N)[O-]

Isomeric SMILES

CCO/C(=C(/C1=CC=CC=C1C(=O)N(C)CC2=CC3=C(C=C2C=C)OCO3)\[N+]#N)/[O-]

InChI

InChI=1S/C22H21N3O5/c1-4-14-10-18-19(30-13-29-18)11-15(14)12-25(3)21(26)17-9-7-6-8-16(17)20(24-23)22(27)28-5-2/h4,6-11H,1,5,12-13H2,2-3H3