ethyl 2-(4-acetamido-2-nitro-phenyl)-2-cyano-ethanoate

Systemtic Name: ethyl 2-(4-acetamido-2-nitro-phenyl)-2-cyano-ethanoate Openeye Name: ethyl 2-(4-acetamido-2-nitro-phenyl)-2-cyano-acetate CAS Name: 2-(4-acetamido-2-nitrophenyl)-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-(4-acetamido-2-nitrophenyl)-2-cyanoacetate Traditional Name: 2-(4-acetamido-2-nitro-phenyl)-2-cyano-acetic acid ethyl ester Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5/c1-3-21-13(18)11(7-14)10-5-4-9(15-8(2)17)6-12(10)16(19)20/h4-6,11H,3H2,1-2H3,(H,15,17)