methyl 3-(cyanomethyl)-2-oxidanylidene-1,3-benzoxazole-5-carboxylate

Systemtic Name: methyl 3-(cyanomethyl)-2-oxidanylidene-1,3-benzoxazole-5-carboxylate Openeye Name: methyl 3-(cyanomethyl)-2-oxo-1,3-benzoxazole-5-carboxylate CAS Name: 3-(cyanomethyl)-2-oxo-1,3-benzoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(cyanomethyl)-2-oxo-1,3-benzoxazole-5-carboxylate Traditional Name: 3-(cyanomethyl)-2-keto-1,3-benzoxazole-5-carboxylic acid methyl ester Formula: C11H8N2O4 MolecularWeight: 232.19222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC(=O)N2CC#N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC(=O)N2CC#N

InChI

InChI=1S/C11H8N2O4/c1-16-10(14)7-2-3-9-8(6-7)13(5-4-12)11(15)17-9/h2-3,6H,5H2,1H3