(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-[(4-bromophenyl)carbonylamino]propanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-[(4-bromobenzoyl)amino]propanoate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]propanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-[(4-bromobenzoyl)amino]propanoate Traditional Name: 3-[(4-bromobenzoyl)amino]propionic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H16BrN3O4 MolecularWeight: 394.21994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN3O4/c1-10(19)13(8-18)14(21)9-24-15(22)6-7-20-16(23)11-2-4-12(17)5-3-11/h2-5,13,19H,6-7,9H2,1H3,(H,20,23)