(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C17H12N2O7S MolecularWeight: 388.35138

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C17H12N2O7S/c20-17(25-9-10-6-15(26-18-10)16-2-1-5-27-16)11-7-13-14(24-4-3-23-13)8-12(11)19(21)22/h1-2,5-8H,3-4,9H2