ethyl 1-ethyl-4-[(E)-3-[(2-fluoranyl-5-methoxycarbonyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-ethyl-4-[(E)-3-[(2-fluoranyl-5-methoxycarbonyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-ethyl-4-[(E)-3-(2-fluoro-5-methoxycarbonyl-anilino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-4-[(E)-3-(2-fluoro-5-methoxycarbonylanilino)-3-oxoprop-1-enyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-4-[(E)-3-(2-fluoro-5-methoxycarbonylanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 4-[(E)-3-(5-carbomethoxy-2-fluoro-anilino)-3-keto-prop-1-enyl]-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H25FN2O5 MolecularWeight: 416.442703

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)C(=O)OCC)C=CC(=O)NC2=C(C=CC(=C2)C(=O)OC)F)C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)OC)F)C

InChI

InChI=1S/C22H25FN2O5/c1-6-25-13(3)16(20(14(25)4)22(28)30-7-2)9-11-19(26)24-18-12-15(21(27)29-5)8-10-17(18)23/h8-12H,6-7H2,1-5H3,(H,24,26)/b11-9+