methyl (5E)-2-methyl-4-oxidanylidene-5-[(3-phenoxyphenyl)methylidene]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl (5E)-2-methyl-4-oxidanylidene-5-[(3-phenoxyphenyl)methylidene]-1H-pyrrole-3-carboxylate Openeye Name: methyl (5E)-2-methyl-4-oxo-5-[(3-phenoxyphenyl)methylene]-1H-pyrrole-3-carboxylate CAS Name: (5E)-2-methyl-4-oxo-5-[(3-phenoxyphenyl)methylidene]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl (5E)-2-methyl-4-oxo-5-[(3-phenoxyphenyl)methylidene]-1H-pyrrole-3-carboxylate Traditional Name: (5E)-4-keto-2-methyl-5-(3-phenoxybenzylidene)-2-pyrroline-3-carboxylic acid methyl ester Formula: C20H17NO4 MolecularWeight: 335.35328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=CC2=CC(=CC=C2)OC3=CC=CC=C3)N1)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)/C(=C\C2=CC(=CC=C2)OC3=CC=CC=C3)/N1)C(=O)OC

InChI

InChI=1S/C20H17NO4/c1-13-18(20(23)24-2)19(22)17(21-13)12-14-7-6-10-16(11-14)25-15-8-4-3-5-9-15/h3-12,21H,1-2H3/b17-12+