5-chloranyl-4-oxidanyl-3-propyl-2H-1,3-benzoxazole-2-carboxylate

Systemtic Name: 5-chloranyl-4-oxidanyl-3-propyl-2H-1,3-benzoxazole-2-carboxylate Openeye Name: 5-chloro-4-hydroxy-3-propyl-2H-1,3-benzoxazole-2-carboxylate CAS Name: 5-chloro-4-hydroxy-3-propyl-2H-1,3-benzoxazole-2-carboxylate IUPAC Name: 5-chloro-4-hydroxy-3-propyl-2H-1,3-benzoxazole-2-carboxylate Traditional Name: 5-chloro-4-hydroxy-3-propyl-2H-1,3-benzoxazole-2-carboxylate Formula: C11H11ClNO4- MolecularWeight: 256.66234

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(OC2=C1C(=C(C=C2)Cl)O)C(=O)[O-]

Isomeric SMILES

CCCN1C(OC2=C1C(=C(C=C2)Cl)O)C(=O)[O-]

InChI

InChI=1S/C11H12ClNO4/c1-2-5-13-8-7(17-10(13)11(15)16)4-3-6(12)9(8)14/h3-4,10,14H,2,5H2,1H3,(H,15,16)/p-1