(4-oxidanylidene-4-thiophen-2-yl-butyl) 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C17H17NO7S MolecularWeight: 379.38438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCCCC(=O)C2=CC=CS2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCCCC(=O)C2=CC=CS2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H17NO7S/c1-23-14-9-11(12(18(21)22)10-15(14)24-2)17(20)25-7-3-5-13(19)16-6-4-8-26-16/h4,6,8-10H,3,5,7H2,1-2H3