(2-bromophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate

Systemtic Name: (2-bromophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: (2-bromophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoic acid (2-bromophenyl)methyl ester IUPAC Name: (2-bromophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propionic acid (2-bromobenzyl) ester Formula: C18H17BrN2O3 MolecularWeight: 389.24318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)OCC2=CC=CC=C2Br)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)OCC2=CC=CC=C2Br)C)C#N

InChI

InChI=1S/C18H17BrN2O3/c1-11-14(12(2)21-18(23)15(11)9-20)7-8-17(22)24-10-13-5-3-4-6-16(13)19/h3-6H,7-8,10H2,1-2H3,(H,21,23)