(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H15NO7S MolecularWeight: 377.3685

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO7S/c19-14(15-2-1-5-26-15)3-4-16(20)24-9-12-7-13(18(21)22)6-11-8-23-10-25-17(11)12/h1-2,5-7H,3-4,8-10H2