(Z)-2-cyano-1-[ethoxycarbonyl(phenyl)amino]-3-tributylphosphaniumyl-prop-1-en-1-olate

Systemtic Name: (Z)-2-cyano-1-[ethoxycarbonyl(phenyl)amino]-3-tributylphosphaniumyl-prop-1-en-1-olate Openeye Name: (Z)-2-cyano-1-(N-ethoxycarbonylanilino)-3-tributylphosphaniumyl-prop-1-en-1-olate CAS Name: (Z)-2-cyano-1-(N-ethoxycarbonylanilino)-3-tributylphosphiniumyl-1-propen-1-olate IUPAC Name: (Z)-2-cyano-1-(N-ethoxycarbonylanilino)-3-tributylphosphaniumylprop-1-en-1-olate Traditional Name: (Z)-1-(N-carbethoxyanilino)-2-cyano-3-tributylphosphiniumyl-prop-1-en-1-olate Formula: C25H39N2O3P MolecularWeight: 446.562521

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+](CCCC)(CCCC)CC(=C(N(C1=CC=CC=C1)C(=O)OCC)[O-])C#N

Isomeric SMILES

CCCC[P+](CCCC)(CCCC)C/C(=C(/N(C1=CC=CC=C1)C(=O)OCC)\[O-])/C#N

InChI

InChI=1S/C25H39N2O3P/c1-5-9-17-31(18-10-6-2,19-11-7-3)21-22(20-26)24(28)27(25(29)30-8-4)23-15-13-12-14-16-23/h12-16H,5-11,17-19,21H2,1-4H3/b24-22-