2-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)benzoate

Systemtic Name: 2-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)benzoate Openeye Name: 2-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)benzoate CAS Name: 2-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)benzoate IUPAC Name: 2-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)benzoate Traditional Name: 2-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)benzoate Formula: C14H12NO3- MolecularWeight: 242.24998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(O2)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)N=C(O2)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C14H13NO3/c16-14(17)10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)18-13/h1-2,5-6H,3-4,7-8H2,(H,16,17)/p-1