(phenylmethyl) 2-(5-chloranyl-2-nitro-phenyl)-2-cyano-ethanoate

Systemtic Name: (phenylmethyl) 2-(5-chloranyl-2-nitro-phenyl)-2-cyano-ethanoate Openeye Name: benzyl 2-(5-chloro-2-nitro-phenyl)-2-cyano-acetate CAS Name: 2-(5-chloro-2-nitrophenyl)-2-cyanoacetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(5-chloro-2-nitrophenyl)-2-cyanoacetate Traditional Name: 2-(5-chloro-2-nitro-phenyl)-2-cyano-acetic acid benzyl ester Formula: C16H11ClN2O4 MolecularWeight: 330.72254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(C#N)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(C#N)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN2O4/c17-12-6-7-15(19(21)22)13(8-12)14(9-18)16(20)23-10-11-4-2-1-3-5-11/h1-8,14H,10H2