(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H14ClNO7S MolecularWeight: 411.81356

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCC(=O)C3=CC=C(S3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCC(=O)C3=CC=C(S3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClNO7S/c18-15-3-2-14(27-15)13(20)1-4-16(21)25-8-11-6-12(19(22)23)5-10-7-24-9-26-17(10)11/h2-3,5-6H,1,4,7-9H2