(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-bromanyl-4-methoxy-benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-bromanyl-4-methoxy-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C14H13BrN2O4 MolecularWeight: 353.16802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN2O4/c1-8(17)10(6-16)12(18)7-21-14(19)9-3-4-13(20-2)11(15)5-9/h3-5,10,17H,7H2,1-2H3