2-cyanoethyl (2E)-2-(2,1,3-benzoxadiazol-5-ylmethylidene)-3-oxidanylidene-pentanoate

Systemtic Name: 2-cyanoethyl (2E)-2-(2,1,3-benzoxadiazol-5-ylmethylidene)-3-oxidanylidene-pentanoate Openeye Name: 2-cyanoethyl (2E)-2-(2,1,3-benzoxadiazol-5-ylmethylene)-3-oxo-pentanoate CAS Name: (2E)-2-(2,1,3-benzoxadiazol-5-ylmethylidene)-3-oxopentanoic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl (2E)-2-(2,1,3-benzoxadiazol-5-ylmethylidene)-3-oxopentanoate Traditional Name: (E)-3-benzofurazan-5-yl-2-propionyl-acrylic acid 2-cyanoethyl ester Formula: C15H13N3O4 MolecularWeight: 299.28142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=CC1=CC2=NON=C2C=C1)C(=O)OCCC#N

Isomeric SMILES

CCC(=O)/C(=C\C1=CC2=NON=C2C=C1)/C(=O)OCCC#N

InChI

InChI=1S/C15H13N3O4/c1-2-14(19)11(15(20)21-7-3-6-16)8-10-4-5-12-13(9-10)18-22-17-12/h4-5,8-9H,2-3,7H2,1H3/b11-8+