[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2,3-dihydro-1,4-dioxine-5-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2,3-dihydro-1,4-dioxine-5-carboxylate CAS Name: 2,3-dihydro-1,4-dioxin-5-carboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2,3-dihydro-1,4-dioxine-5-carboxylate Traditional Name: 2,3-dihydro-p-dioxin-5-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C11H12N2O5 MolecularWeight: 252.22338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=COCCO1)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=COCCO1)/N

InChI

InChI=1S/C11H12N2O5/c1-7(13)8(4-12)9(14)5-18-11(15)10-6-16-2-3-17-10/h6H,2-3,5,13H2,1H3/b8-7+