ethyl 2-cyano-2-methyl-4-nitro-3-phenyl-butanoate

Systemtic Name: ethyl 2-cyano-2-methyl-4-nitro-3-phenyl-butanoate Openeye Name: ethyl 2-cyano-2-methyl-4-nitro-3-phenyl-butanoate CAS Name: 2-cyano-2-methyl-4-nitro-3-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-methyl-4-nitro-3-phenylbutanoate Traditional Name: 2-cyano-2-methyl-4-nitro-3-phenyl-butyric acid ethyl ester Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4/c1-3-20-13(17)14(2,10-15)12(9-16(18)19)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3