(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C16H10N2O7S MolecularWeight: 374.3248

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=NOC(=C3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=NOC(=C3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C16H10N2O7S/c19-16(10-5-12-13(24-8-23-12)6-11(10)18(20)21)22-7-9-4-14(25-17-9)15-2-1-3-26-15/h1-6H,7-8H2