1-chloroethyl 2-ethynyl-2H-1,3-benzoxazole-3-carboxylate

Systemtic Name: 1-chloroethyl 2-ethynyl-2H-1,3-benzoxazole-3-carboxylate Openeye Name: 1-chloroethyl 2-ethynyl-2H-1,3-benzoxazole-3-carboxylate CAS Name: 2-ethynyl-2H-1,3-benzoxazole-3-carboxylic acid 1-chloroethyl ester IUPAC Name: 1-chloroethyl 2-ethynyl-2H-1,3-benzoxazole-3-carboxylate Traditional Name: 2-ethynyl-2H-1,3-benzoxazole-3-carboxylic acid 1-chloroethyl ester Formula: C12H10ClNO3 MolecularWeight: 251.6657

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)N1C(OC2=CC=CC=C21)C#C)Cl

Isomeric SMILES

CC(OC(=O)N1C(OC2=CC=CC=C21)C#C)Cl

InChI

InChI=1S/C12H10ClNO3/c1-3-11-14(12(15)16-8(2)13)9-6-4-5-7-10(9)17-11/h1,4-8,11H,2H3