ethyl (5E)-2-methyl-4-oxidanylidene-5-[(3-phenoxyphenyl)methylidene]-3H-pyrrole-3-carboxylate

Systemtic Name: ethyl (5E)-2-methyl-4-oxidanylidene-5-[(3-phenoxyphenyl)methylidene]-3H-pyrrole-3-carboxylate Openeye Name: ethyl (5E)-2-methyl-4-oxo-5-[(3-phenoxyphenyl)methylene]-3H-pyrrole-3-carboxylate CAS Name: (5E)-2-methyl-4-oxo-5-[(3-phenoxyphenyl)methylidene]-3H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (5E)-2-methyl-4-oxo-5-[(3-phenoxyphenyl)methylidene]-3H-pyrrole-3-carboxylate Traditional Name: (5E)-4-keto-2-methyl-5-(3-phenoxybenzylidene)-1-pyrroline-3-carboxylic acid ethyl ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=NC(=CC2=CC(=CC=C2)OC3=CC=CC=C3)C1=O)C

Isomeric SMILES

CCOC(=O)C1C(=N/C(=C/C2=CC(=CC=C2)OC3=CC=CC=C3)/C1=O)C

InChI

InChI=1S/C21H19NO4/c1-3-25-21(24)19-14(2)22-18(20(19)23)13-15-8-7-11-17(12-15)26-16-9-5-4-6-10-16/h4-13,19H,3H2,1-2H3/b18-13+