(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CNC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CNC(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H15N3O6/c1-9(18)11(5-17)12(20)7-23-15(21)6-19-16(22)10-2-3-13-14(4-10)25-8-24-13/h2-4,11,18H,6-8H2,1H3,(H,19,22)