tert-butyl 2-(cyanocarbamoyl)-4-pyridin-4-yl-pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-(cyanocarbamoyl)-4-pyridin-4-yl-pyrrole-1-carboxylate Openeye Name: tert-butyl 2-(cyanocarbamoyl)-4-(4-pyridyl)pyrrole-1-carboxylate CAS Name: 2-[(cyanoamino)-oxomethyl]-4-pyridin-4-yl-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(cyanocarbamoyl)-4-pyridin-4-ylpyrrole-1-carboxylate Traditional Name: 2-(cyanocarbamoyl)-4-(4-pyridyl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C=C1C(=O)NC#N)C2=CC=NC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C=C1C(=O)NC#N)C2=CC=NC=C2

InChI

InChI=1S/C16H16N4O3/c1-16(2,3)23-15(22)20-9-12(11-4-6-18-7-5-11)8-13(20)14(21)19-10-17/h4-9H,1-3H3,(H,19,21)