methyl 4-[(4-bromophenyl)-(4-methoxy-4-oxidanylidene-but-2-ynyl)amino]but-2-ynoate

Systemtic Name: methyl 4-[(4-bromophenyl)-(4-methoxy-4-oxidanylidene-but-2-ynyl)amino]but-2-ynoate Openeye Name: methyl 4-(4-bromo-N-(4-methoxy-4-oxo-but-2-ynyl)anilino)but-2-ynoate CAS Name: 4-(4-bromo-N-(4-methoxy-4-oxobut-2-ynyl)anilino)-2-butynoic acid methyl ester IUPAC Name: methyl 4-(4-bromo-N-(4-methoxy-4-oxobut-2-ynyl)anilino)but-2-ynoate Traditional Name: 4-(4-bromo-N-(4-keto-4-methoxy-but-2-ynyl)anilino)but-2-ynoic acid methyl ester Formula: C16H14BrNO4 MolecularWeight: 364.19066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCN(CC#CC(=O)OC)C1=CC=C(C=C1)Br

Isomeric SMILES

COC(=O)C#CCN(CC#CC(=O)OC)C1=CC=C(C=C1)Br

InChI

InChI=1S/C16H14BrNO4/c1-21-15(19)5-3-11-18(12-4-6-16(20)22-2)14-9-7-13(17)8-10-14/h7-10H,11-12H2,1-2H3