ethyl 2-cyano-2-methyl-4-nitro-3-thiophen-2-yl-butanoate

Systemtic Name: ethyl 2-cyano-2-methyl-4-nitro-3-thiophen-2-yl-butanoate Openeye Name: ethyl 2-cyano-2-methyl-4-nitro-3-(2-thienyl)butanoate CAS Name: 2-cyano-2-methyl-4-nitro-3-thiophen-2-ylbutanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-methyl-4-nitro-3-thiophen-2-ylbutanoate Traditional Name: 2-cyano-2-methyl-4-nitro-3-(2-thienyl)butyric acid ethyl ester Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C#N)C(C[N+](=O)[O-])C1=CC=CS1

Isomeric SMILES

CCOC(=O)C(C)(C#N)C(C[N+](=O)[O-])C1=CC=CS1

InChI

InChI=1S/C12H14N2O4S/c1-3-18-11(15)12(2,8-13)9(7-14(16)17)10-5-4-6-19-10/h4-6,9H,3,7H2,1-2H3