ethyl 3-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3-[3-(4-cyanophenyl)-4,5-dihydroisoxazol-5-yl]-1H-pyrrole-2-carboxylate CAS Name: 3-[3-(4-cyanophenyl)-4,5-dihydroisoxazol-5-yl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-cyanophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxylate Traditional Name: 3-[3-(4-cyanophenyl)-2-isoxazolin-5-yl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CN1)C2CC(=NO2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(C=CN1)C2CC(=NO2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H15N3O3/c1-2-22-17(21)16-13(7-8-19-16)15-9-14(20-23-15)12-5-3-11(10-18)4-6-12/h3-8,15,19H,2,9H2,1H3