ethyl 5-[ethoxy(oxidanyl)methylidene]-4-oxidanylidene-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[ethoxy(oxidanyl)methylidene]-4-oxidanylidene-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 1-benzyl-5-[ethoxy(hydroxy)methylene]-4-oxo-pyrrole-3-carboxylate CAS Name: 5-[ethoxy(hydroxy)methylidene]-4-oxo-1-(phenylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-[ethoxy(hydroxy)methylidene]-4-oxopyrrole-3-carboxylate Traditional Name: 1-benzyl-5-[ethoxy(hydroxy)methylene]-4-keto-2-pyrroline-3-carboxylic acid ethyl ester Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=C(O)OCC)C1=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN(C(=C(O)OCC)C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H19NO5/c1-3-22-16(20)13-11-18(10-12-8-6-5-7-9-12)14(15(13)19)17(21)23-4-2/h5-9,11,21H,3-4,10H2,1-2H3