ethyl 2-cyano-3,3-dimethyl-4-nitro-butanoate

Systemtic Name: ethyl 2-cyano-3,3-dimethyl-4-nitro-butanoate Openeye Name: ethyl 2-cyano-3,3-dimethyl-4-nitro-butanoate CAS Name: 2-cyano-3,3-dimethyl-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3,3-dimethyl-4-nitrobutanoate Traditional Name: 2-cyano-3,3-dimethyl-4-nitro-butyric acid ethyl ester Formula: C9H14N2O4 MolecularWeight: 214.21846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N2O4/c1-4-15-8(12)7(5-10)9(2,3)6-11(13)14/h7H,4,6H2,1-3H3