5-methoxy-2-nitro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid

Systemtic Name: 5-methoxy-2-nitro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid Openeye Name: 5-methoxy-2-nitro-4-(thiazol-4-ylmethoxy)benzoic acid CAS Name: 5-methoxy-2-nitro-4-(4-thiazolylmethoxy)benzoic acid IUPAC Name: 5-methoxy-2-nitro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid Traditional Name: 5-methoxy-2-nitro-4-(thiazol-4-ylmethoxy)benzoic acid Formula: C12H10N2O6S MolecularWeight: 310.2826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCC2=CSC=N2

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCC2=CSC=N2

InChI

InChI=1S/C12H10N2O6S/c1-19-10-2-8(12(15)16)9(14(17)18)3-11(10)20-4-7-5-21-6-13-7/h2-3,5-6H,4H2,1H3,(H,15,16)