(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(1,3-thiazol-4-ylmethoxy)benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(1,3-thiazol-4-ylmethoxy)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(thiazol-4-ylmethoxy)benzoate CAS Name: 4-(4-thiazolylmethoxy)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(1,3-thiazol-4-ylmethoxy)benzoate Traditional Name: 4-(thiazol-4-ylmethoxy)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H16N2O7S MolecularWeight: 428.41524

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)OCC4=CSC=N4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)OCC4=CSC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O7S/c23-20(13-1-3-18(4-2-13)27-9-16-10-30-11-21-16)28-8-15-6-17(22(24)25)5-14-7-26-12-29-19(14)15/h1-6,10-11H,7-9,12H2