ethyl 6-bromanyl-2-(2-ethoxyethoxy)-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-(2-ethoxyethoxy)-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate Openeye Name: ethyl 6-bromo-2-(2-ethoxyethoxy)-4-oxo-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate CAS Name: 6-bromo-2-(2-ethoxyethoxy)-4-oxo-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-(2-ethoxyethoxy)-4-oxo-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate Traditional Name: 6-bromo-2-(2-ethoxyethoxy)-4-keto-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylic acid ethyl ester Formula: C19H20BrN3O5 MolecularWeight: 450.2832

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=NC(=O)N2C(=C(C(=C2Br)C3=CC=CC=C3)C(=O)OCC)N1

Isomeric SMILES

CCOCCOC1=NC(=O)N2C(=C(C(=C2Br)C3=CC=CC=C3)C(=O)OCC)N1

InChI

InChI=1S/C19H20BrN3O5/c1-3-26-10-11-28-18-21-16-14(17(24)27-4-2)13(12-8-6-5-7-9-12)15(20)23(16)19(25)22-18/h5-9H,3-4,10-11H2,1-2H3,(H,21,22,25)