methyl 4-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-2-methyl-5-oxidanylidene-1-prop-2-enyl-pyrrole-3-carboxylate

Systemtic Name: methyl 4-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-2-methyl-5-oxidanylidene-1-prop-2-enyl-pyrrole-3-carboxylate Openeye Name: methyl 1-allyl-4-[(2-chloro-6-fluoro-phenyl)methylene]-2-methyl-5-oxo-pyrrole-3-carboxylate CAS Name: 4-[(2-chloro-6-fluorophenyl)methylidene]-2-methyl-5-oxo-1-prop-2-enyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[(2-chloro-6-fluorophenyl)methylidene]-2-methyl-5-oxo-1-prop-2-enylpyrrole-3-carboxylate Traditional Name: 1-allyl-4-(2-chloro-6-fluoro-benzylidene)-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C17H15ClFNO3 MolecularWeight: 335.757303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=C(C=CC=C2Cl)F)C(=O)N1CC=C)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC2=C(C=CC=C2Cl)F)C(=O)N1CC=C)C(=O)OC

InChI

InChI=1S/C17H15ClFNO3/c1-4-8-20-10(2)15(17(22)23-3)12(16(20)21)9-11-13(18)6-5-7-14(11)19/h4-7,9H,1,8H2,2-3H3