ethyl 7-ethanoyl-3,6-dimethyl-1-phenyl-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate

Systemtic Name: ethyl 7-ethanoyl-3,6-dimethyl-1-phenyl-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate Openeye Name: ethyl 7-acetyl-3,6-dimethyl-1-phenyl-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate CAS Name: 7-acetyl-3,6-dimethyl-1-phenyl-5-pyrrolo[2,1-c][1,2,4]triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 7-acetyl-3,6-dimethyl-1-phenylpyrrolo[2,1-c][1,2,4]triazole-5-carboxylate Traditional Name: 7-acetyl-3,6-dimethyl-1-phenyl-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylic acid ethyl ester Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1C(=NN2C3=CC=CC=C3)C)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1C(=NN2C3=CC=CC=C3)C)C(=O)C)C

InChI

InChI=1S/C18H19N3O3/c1-5-24-18(23)16-11(2)15(12(3)22)17-20(16)13(4)19-21(17)14-9-7-6-8-10-14/h6-10H,5H2,1-4H3