ethyl 2-cyano-2-(5-methyl-2-nitro-phenyl)ethanoate

Systemtic Name: ethyl 2-cyano-2-(5-methyl-2-nitro-phenyl)ethanoate Openeye Name: ethyl 2-cyano-2-(5-methyl-2-nitro-phenyl)acetate CAS Name: 2-cyano-2-(5-methyl-2-nitrophenyl)acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-(5-methyl-2-nitrophenyl)acetate Traditional Name: 2-cyano-2-(5-methyl-2-nitro-phenyl)acetic acid ethyl ester Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4/c1-3-18-12(15)10(7-13)9-6-8(2)4-5-11(9)14(16)17/h4-6,10H,3H2,1-2H3