(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(4-bromophenyl)-4-oxidanylidene-butanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(4-bromophenyl)-4-oxidanylidene-butanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-(4-bromophenyl)-4-oxo-butanoate CAS Name: 4-(4-bromophenyl)-4-oxobutanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-(4-bromophenyl)-4-oxobutanoate Traditional Name: 4-(4-bromophenyl)-4-keto-butyric acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H15BrN2O4 MolecularWeight: 379.2053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2O4/c1-10(19)13(8-18)15(21)9-23-16(22)7-6-14(20)11-2-4-12(17)5-3-11/h2-5,13,19H,6-7,9H2,1H3