(Z)-1-ethoxy-3-[4-nitro-2-[[(phenylmethyl)-prop-2-enyl-amino]methyl]phenoxy]-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium

Systemtic Name: (Z)-1-ethoxy-3-[4-nitro-2-[[(phenylmethyl)-prop-2-enyl-amino]methyl]phenoxy]-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium Openeye Name: (Z)-3-[2-[[allyl(benzyl)amino]methyl]-4-nitro-phenoxy]-1-ethoxy-1-hydroxy-3-oxo-prop-1-ene-2-diazonium CAS Name: (Z)-1-ethoxy-1-hydroxy-3-[4-nitro-2-[[(phenylmethyl)-prop-2-enylamino]methyl]phenoxy]-3-oxo-1-propene-2-diazonium IUPAC Name: (Z)-3-[2-[[benzyl(prop-2-enyl)amino]methyl]-4-nitrophenoxy]-1-ethoxy-1-hydroxy-3-oxoprop-1-ene-2-diazonium Traditional Name: (Z)-3-[2-[[allyl(benzyl)amino]methyl]-4-nitro-phenoxy]-1-ethoxy-1-hydroxy-3-keto-prop-1-ene-2-diazonium Formula: C22H23N4O6+ MolecularWeight: 439.44122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])CN(CC=C)CC2=CC=CC=C2)[N+]#N)O

Isomeric SMILES

CCO/C(=C(/C(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])CN(CC=C)CC2=CC=CC=C2)\[N+]#N)/O

InChI

InChI=1S/C22H22N4O6/c1-3-12-25(14-16-8-6-5-7-9-16)15-17-13-18(26(29)30)10-11-19(17)32-22(28)20(24-23)21(27)31-4-2/h3,5-11,13H,1,4,12,14-15H2,2H3/p+1