ethyl 4,4-dicyano-3-(4-nitrophenyl)-2-(triphenyl-$l^{5}-phosphanylidene)butanoate

Systemtic Name: ethyl 4,4-dicyano-3-(4-nitrophenyl)-2-(triphenyl-$l^{5}-phosphanylidene)butanoate Openeye Name: ethyl 4,4-dicyano-3-(4-nitrophenyl)-2-(triphenyl-$l^{5}-phosphanylidene)butanoate CAS Name: 4,4-dicyano-3-(4-nitrophenyl)-2-triphenylphosphoranylidenebutanoic acid ethyl ester IUPAC Name: ethyl 4,4-dicyano-3-(4-nitrophenyl)-2-(triphenyl-$l^{5}-phosphanylidene)butanoate Traditional Name: 4,4-dicyano-3-(4-nitrophenyl)-2-triphenylphosphoranylidene-butyric acid ethyl ester Formula: C32H26N3O4P MolecularWeight: 547.540301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=C(C=C4)[N+](=O)[O-])C(C#N)C#N

Isomeric SMILES

CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=C(C=C4)[N+](=O)[O-])C(C#N)C#N

InChI

InChI=1S/C32H26N3O4P/c1-2-39-32(36)31(30(25(22-33)23-34)24-18-20-26(21-19-24)35(37)38)40(27-12-6-3-7-13-27,28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-21,25,30H,2H2,1H3