(phenylmethyl) 2-cyano-2-(4-methyl-2-nitro-phenyl)ethanoate

Systemtic Name: (phenylmethyl) 2-cyano-2-(4-methyl-2-nitro-phenyl)ethanoate Openeye Name: benzyl 2-cyano-2-(4-methyl-2-nitro-phenyl)acetate CAS Name: 2-cyano-2-(4-methyl-2-nitrophenyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-cyano-2-(4-methyl-2-nitrophenyl)acetate Traditional Name: 2-cyano-2-(4-methyl-2-nitro-phenyl)acetic acid benzyl ester Formula: C17H14N2O4 MolecularWeight: 310.30406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C#N)C(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C#N)C(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O4/c1-12-7-8-14(16(9-12)19(21)22)15(10-18)17(20)23-11-13-5-3-2-4-6-13/h2-9,15H,11H2,1H3