3-nitro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid

Systemtic Name: 3-nitro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid Openeye Name: 3-nitro-4-(thiazol-4-ylmethoxy)benzoic acid CAS Name: 3-nitro-4-(4-thiazolylmethoxy)benzoic acid IUPAC Name: 3-nitro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid Traditional Name: 3-nitro-4-(thiazol-4-ylmethoxy)benzoic acid Formula: C11H8N2O5S MolecularWeight: 280.25662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])OCC2=CSC=N2

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])OCC2=CSC=N2

InChI

InChI=1S/C11H8N2O5S/c14-11(15)7-1-2-10(9(3-7)13(16)17)18-4-8-5-19-6-12-8/h1-3,5-6H,4H2,(H,14,15)