[3-ethoxy-2-(3-nitro-5-oxidanylidene-1H-1,2,4-triazol-4-yl)-3-oxidanylidene-propyl]-triphenyl-phosphanium

Systemtic Name: [3-ethoxy-2-(3-nitro-5-oxidanylidene-1H-1,2,4-triazol-4-yl)-3-oxidanylidene-propyl]-triphenyl-phosphanium Openeye Name: [3-ethoxy-2-(3-nitro-5-oxo-1H-1,2,4-triazol-4-yl)-3-oxo-propyl]-triphenyl-phosphonium CAS Name: [3-ethoxy-2-(3-nitro-5-oxo-1H-1,2,4-triazol-4-yl)-3-oxopropyl]-triphenylphosphonium IUPAC Name: [3-ethoxy-2-(3-nitro-5-oxo-1H-1,2,4-triazol-4-yl)-3-oxopropyl]-triphenylphosphanium Traditional Name: [3-ethoxy-3-keto-2-(5-keto-3-nitro-1H-1,2,4-triazol-4-yl)propyl]-triphenyl-phosphonium Formula: C25H24N4O5P+ MolecularWeight: 491.455621

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N4C(=O)NN=C4[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N4C(=O)NN=C4[N+](=O)[O-]

InChI

InChI=1S/C25H23N4O5P/c1-2-34-23(30)22(28-24(29(32)33)26-27-25(28)31)18-35(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22H,2,18H2,1H3/p+1