methyl 5-[(E)-3-[(5-chloranyl-2-morpholin-4-yl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[(E)-3-[(5-chloranyl-2-morpholin-4-yl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[(E)-3-(5-chloro-2-morpholino-anilino)-2-cyano-3-oxo-prop-1-enyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[(E)-3-[5-chloro-2-(4-morpholinyl)anilino]-2-cyano-3-oxoprop-1-enyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-3-(5-chloro-2-morpholin-4-ylanilino)-2-cyano-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[(E)-3-(5-chloro-2-morpholino-anilino)-2-cyano-3-keto-prop-1-enyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C21H20ClN3O5 MolecularWeight: 429.8536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)/C=C(\C#N)/C(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3)C(=O)OC

InChI

InChI=1S/C21H20ClN3O5/c1-13-17(21(27)28-2)11-16(30-13)9-14(12-23)20(26)24-18-10-15(22)3-4-19(18)25-5-7-29-8-6-25/h3-4,9-11H,5-8H2,1-2H3,(H,24,26)/b14-9+