ethyl 3-cyano-2-methyl-2-(4-nitrophenyl)propanoate

Systemtic Name: ethyl 3-cyano-2-methyl-2-(4-nitrophenyl)propanoate Openeye Name: ethyl 3-cyano-2-methyl-2-(4-nitrophenyl)propanoate CAS Name: 3-cyano-2-methyl-2-(4-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-cyano-2-methyl-2-(4-nitrophenyl)propanoate Traditional Name: 3-cyano-2-methyl-2-(4-nitrophenyl)propionic acid ethyl ester Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4/c1-3-19-12(16)13(2,8-9-14)10-4-6-11(7-5-10)15(17)18/h4-7H,3,8H2,1-2H3