(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(2-bromo-4,5-dimethoxy-phenyl)acetate CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(2-bromo-4,5-dimethoxyphenyl)acetate Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H17BrN2O5 MolecularWeight: 397.22058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CC1=CC(=C(C=C1Br)OC)OC

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CC1=CC(=C(C=C1Br)OC)OC

InChI

InChI=1S/C16H17BrN2O5/c1-9(19)11(7-18)13(20)8-24-16(21)5-10-4-14(22-2)15(23-3)6-12(10)17/h4,6,11,19H,5,8H2,1-3H3