ethyl 3-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-3-oxidanylidene-2-(triphenyl-$l^{5}-phosphanylidene)propanoate

Systemtic Name: ethyl 3-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-3-oxidanylidene-2-(triphenyl-$l^{5}-phosphanylidene)propanoate Openeye Name: ethyl 3-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-3-oxo-2-(triphenyl-$l^{5}-phosphanylidene)propanoate CAS Name: 3-(3-ethyl-2-methyl-5-nitro-4-imidazolyl)-3-oxo-2-triphenylphosphoranylidenepropanoic acid ethyl ester IUPAC Name: ethyl 3-(3-ethyl-2-methyl-5-nitroimidazol-4-yl)-3-oxo-2-(triphenyl-$l^{5}-phosphanylidene)propanoate Traditional Name: 3-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-3-keto-2-triphenylphosphoranylidene-propionic acid ethyl ester Formula: C29H28N3O5P MolecularWeight: 529.523481

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=C1C(=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=NC(=C1C(=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC)[N+](=O)[O-])C

InChI

InChI=1S/C29H28N3O5P/c1-4-31-21(3)30-28(32(35)36)25(31)26(33)27(29(34)37-5-2)38(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-20H,4-5H2,1-3H3