cyanomethyl 3-phenyl-2,1-benzoxazole-5-carboxylate

Systemtic Name: cyanomethyl 3-phenyl-2,1-benzoxazole-5-carboxylate Openeye Name: cyanomethyl 3-phenyl-2,1-benzoxazole-5-carboxylate CAS Name: 3-phenyl-2,1-benzoxazole-5-carboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-phenyl-2,1-benzoxazole-5-carboxylate Traditional Name: 3-phenylanthranil-5-carboxylic acid cyanomethyl ester Formula: C16H10N2O3 MolecularWeight: 278.2622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)OCC#N

InChI

InChI=1S/C16H10N2O3/c17-8-9-20-16(19)12-6-7-14-13(10-12)15(21-18-14)11-4-2-1-3-5-11/h1-7,10H,9H2