ethyl 8-diethoxyphosphoryl-6-methyl-3-phenyl-pyrrolo[1,2-b][1,2,4]triazine-7-carboxylate

Systemtic Name: ethyl 8-diethoxyphosphoryl-6-methyl-3-phenyl-pyrrolo[1,2-b][1,2,4]triazine-7-carboxylate Openeye Name: ethyl 8-diethoxyphosphoryl-6-methyl-3-phenyl-pyrrolo[1,2-b][1,2,4]triazine-7-carboxylate CAS Name: 8-diethoxyphosphoryl-6-methyl-3-phenyl-7-pyrrolo[1,2-b][1,2,4]triazinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-diethoxyphosphoryl-6-methyl-3-phenylpyrrolo[1,2-b][1,2,4]triazine-7-carboxylate Traditional Name: 8-diethoxyphosphoryl-6-methyl-3-phenyl-pyrrolo[1,2-b][1,2,4]triazine-7-carboxylic acid ethyl ester Formula: C20H24N3O5P MolecularWeight: 417.395421

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=C1P(=O)(OCC)OCC)N=CC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N2C(=C1P(=O)(OCC)OCC)N=CC(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H24N3O5P/c1-5-26-20(24)17-14(4)23-19(18(17)29(25,27-6-2)28-7-3)21-13-16(22-23)15-11-9-8-10-12-15/h8-13H,5-7H2,1-4H3