ethyl 2-(2-ethoxy-2-oxidanylidene-ethyl)-4-oxidanyl-5-pyridin-3-yl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-(2-ethoxy-2-oxidanylidene-ethyl)-4-oxidanyl-5-pyridin-3-yl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-(2-ethoxy-2-oxo-ethyl)-4-hydroxy-5-(3-pyridyl)-1H-pyrrole-3-carboxylate CAS Name: 2-(2-ethoxy-2-oxoethyl)-4-hydroxy-5-(3-pyridinyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-ethoxy-2-oxoethyl)-4-hydroxy-5-pyridin-3-yl-1H-pyrrole-3-carboxylate Traditional Name: 2-(2-ethoxy-2-keto-ethyl)-4-hydroxy-5-(3-pyridyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C(=C(N1)C2=CN=CC=C2)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC1=C(C(=C(N1)C2=CN=CC=C2)O)C(=O)OCC

InChI

InChI=1S/C16H18N2O5/c1-3-22-12(19)8-11-13(16(21)23-4-2)15(20)14(18-11)10-6-5-7-17-9-10/h5-7,9,18,20H,3-4,8H2,1-2H3