(phenylmethyl) (2Z)-2-cyano-2-(3-oxidanylidenepiperazin-2-ylidene)ethanoate

Systemtic Name: (phenylmethyl) (2Z)-2-cyano-2-(3-oxidanylidenepiperazin-2-ylidene)ethanoate Openeye Name: benzyl (2Z)-2-cyano-2-(3-oxopiperazin-2-ylidene)acetate CAS Name: (2Z)-2-cyano-2-(3-oxo-2-piperazinylidene)acetic acid (phenylmethyl) ester IUPAC Name: benzyl (2Z)-2-cyano-2-(3-oxopiperazin-2-ylidene)acetate Traditional Name: (2Z)-2-cyano-2-(3-ketopiperazin-2-ylidene)acetic acid benzyl ester Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C(=C(C#N)C(=O)OCC2=CC=CC=C2)N1

Isomeric SMILES

C1CNC(=O)/C(=C(\C#N)/C(=O)OCC2=CC=CC=C2)/N1

InChI

InChI=1S/C14H13N3O3/c15-8-11(12-13(18)17-7-6-16-12)14(19)20-9-10-4-2-1-3-5-10/h1-5,16H,6-7,9H2,(H,17,18)/b12-11-