(1-cyanoindolizin-2-yl)methyl 2-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxyethanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxyethanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxyacetate CAS Name: 2-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxyacetic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxyacetate Traditional Name: 2-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxyacetic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOCC(=O)OCC1=CN2C=CC=CC2=C1C#N)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C/C(=N\OCC(=O)OCC1=CN2C=CC=CC2=C1C#N)/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17N3O5/c1-14(15-5-6-19-20(8-15)28-13-27-19)23-29-12-21(25)26-11-16-10-24-7-3-2-4-18(24)17(16)9-22/h2-8,10H,11-13H2,1H3/b23-14+