(4-oxidanylidene-4-thiophen-2-yl-butyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C17H15NO7S MolecularWeight: 377.3685

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C17H15NO7S/c19-13(16-4-2-8-26-16)3-1-5-25-17(20)11-9-14-15(24-7-6-23-14)10-12(11)18(21)22/h2,4,8-10H,1,3,5-7H2