dodecyl 6-bromanyl-7-methyl-4-oxidanylidene-2-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate

Systemtic Name: dodecyl 6-bromanyl-7-methyl-4-oxidanylidene-2-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate Openeye Name: dodecyl 6-bromo-7-methyl-4-oxo-2-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate CAS Name: 6-bromo-7-methyl-4-oxo-2-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylic acid dodecyl ester IUPAC Name: dodecyl 6-bromo-7-methyl-4-oxo-2-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate Traditional Name: 6-bromo-4-keto-7-methyl-2-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylic acid lauryl ester Formula: C26H34BrN3O3 MolecularWeight: 516.47046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=C2NC(=NC(=O)N2C(=C1C)Br)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=C2NC(=NC(=O)N2C(=C1C)Br)C3=CC=CC=C3

InChI

InChI=1S/C26H34BrN3O3/c1-3-4-5-6-7-8-9-10-11-15-18-33-25(31)21-19(2)22(27)30-24(21)28-23(29-26(30)32)20-16-13-12-14-17-20/h12-14,16-17H,3-11,15,18H2,1-2H3,(H,28,29,32)