ethyl (4E)-4-[4-(4-acetamidophenyl)-1,2-dihydro-1,2,3-triazol-5-ylidene]pyrrole-2-carboxylate

Systemtic Name: ethyl (4E)-4-[4-(4-acetamidophenyl)-1,2-dihydro-1,2,3-triazol-5-ylidene]pyrrole-2-carboxylate Openeye Name: ethyl (4E)-4-[4-(4-acetamidophenyl)-1,2-dihydrotriazol-5-ylidene]pyrrole-2-carboxylate CAS Name: (4E)-4-[4-(4-acetamidophenyl)-1,2-dihydrotriazol-5-ylidene]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (4E)-4-[4-(4-acetamidophenyl)-1,2-dihydrotriazol-5-ylidene]pyrrole-2-carboxylate Traditional Name: (4E)-4-[4-(4-acetamidophenyl)-1,2-dihydrotriazol-5-ylidene]pyrrole-2-carboxylic acid ethyl ester Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C(=NNN2)C3=CC=C(C=C3)NC(=O)C)C=N1

Isomeric SMILES

CCOC(=O)C1=C/C(=C\2/C(=NNN2)C3=CC=C(C=C3)NC(=O)C)/C=N1

InChI

InChI=1S/C17H17N5O3/c1-3-25-17(24)14-8-12(9-18-14)16-15(20-22-21-16)11-4-6-13(7-5-11)19-10(2)23/h4-9,21-22H,3H2,1-2H3,(H,19,23)/b16-12+