(2-oxidanylidene-2-thiophen-2-yl-ethyl) 3,5-dinitrobenzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3,5-dinitrobenzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C13H8N2O7S MolecularWeight: 336.27682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O7S/c16-11(12-2-1-3-23-12)7-22-13(17)8-4-9(14(18)19)6-10(5-8)15(20)21/h1-6H,7H2