[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxyethanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxyethanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxyacetate CAS Name: 2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxyacetic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxyacetate Traditional Name: 2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxyacetic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOCC(=O)OCC(=O)C(C#N)C(=N)C)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

C/C(=N/OCC(=O)OCC(=O)[C@@H](C#N)C(=N)C)/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C17H17N3O6/c1-10(19)13(6-18)14(21)7-23-17(22)8-26-20-11(2)12-3-4-15-16(5-12)25-9-24-15/h3-5,13,19H,7-9H2,1-2H3/b19-10?,20-11-/t13-/m0/s1