2-cyanoethyl 4-(2-azidoethylperoxy)-3-oxidanylidene-butanoate

Systemtic Name: 2-cyanoethyl 4-(2-azidoethylperoxy)-3-oxidanylidene-butanoate Openeye Name: 2-cyanoethyl 4-(2-azidoethylperoxy)-3-oxo-butanoate CAS Name: 4-(2-azidoethyldioxy)-3-oxobutanoic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 4-(2-azidoethylperoxy)-3-oxobutanoate Traditional Name: 4-(2-azidoethylperoxy)-3-keto-butyric acid 2-cyanoethyl ester Formula: C9H12N4O5 MolecularWeight: 256.21538

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Descriptors Computed from Structure

Canonical SMILES:

C(COC(=O)CC(=O)COOCCN=[N+]=[N-])C#N

Isomeric SMILES

C(COC(=O)CC(=O)COOCCN=[N+]=[N-])C#N

InChI

InChI=1S/C9H12N4O5/c10-2-1-4-16-9(15)6-8(14)7-18-17-5-3-12-13-11/h1,3-7H2