ethyl 2-[(5-cyano-4-ethanoyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[(5-cyano-4-ethanoyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-(4-acetyl-5-cyano-2-nitro-anilino)-2-oxo-acetate CAS Name: 2-(4-acetyl-5-cyano-2-nitroanilino)-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-(4-acetyl-5-cyano-2-nitroanilino)-2-oxoacetate Traditional Name: 2-(4-acetyl-5-cyano-2-nitro-anilino)-2-keto-acetic acid ethyl ester Formula: C13H11N3O6 MolecularWeight: 305.24294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)NC1=C(C=C(C(=C1)C#N)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(=O)NC1=C(C=C(C(=C1)C#N)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O6/c1-3-22-13(19)12(18)15-10-4-8(6-14)9(7(2)17)5-11(10)16(20)21/h4-5H,3H2,1-2H3,(H,15,18)