methyl (E)-2-cyano-3-pyrrolidin-1-yl-3-[(triphenyl-$l^{5}-phosphanylidene)amino]prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-pyrrolidin-1-yl-3-[(triphenyl-$l^{5}-phosphanylidene)amino]prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-pyrrolidin-1-yl-3-[(triphenyl-$l^{5}-phosphanylidene)amino]prop-2-enoate CAS Name: (E)-2-cyano-3-(1-pyrrolidinyl)-3-(triphenylphosphoranylideneamino)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-pyrrolidin-1-yl-3-[(triphenyl-$l^{5}-phosphanylidene)amino]prop-2-enoate Traditional Name: (E)-2-cyano-3-pyrrolidino-3-(triphenylphosphoranylideneamino)acrylic acid methyl ester Formula: C27H26N3O2P MolecularWeight: 455.488001

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(N=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N4CCCC4)C#N

Isomeric SMILES

COC(=O)/C(=C(/N=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)\N4CCCC4)/C#N

InChI

InChI=1S/C27H26N3O2P/c1-32-27(31)25(21-28)26(30-19-11-12-20-30)29-33(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-10,13-18H,11-12,19-20H2,1H3/b26-25-