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

Systemtic Name: 4-[(E)-3-[(5-chloranyl-2-morpholin-4-yl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-(5-chloro-2-morpholino-anilino)-2-cyano-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[5-chloro-2-(4-morpholinyl)anilino]-2-cyano-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(5-chloro-2-morpholin-4-ylanilino)-2-cyano-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-(5-chloro-2-morpholino-anilino)-2-cyano-3-keto-prop-1-enyl]benzoic acid Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)C(=CC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/C#N

InChI

InChI=1S/C21H18ClN3O4/c22-17-5-6-19(25-7-9-29-10-8-25)18(12-17)24-20(26)16(13-23)11-14-1-3-15(4-2-14)21(27)28/h1-6,11-12H,7-10H2,(H,24,26)(H,27,28)/b16-11+