(phenylmethyl) 2-(4-cyano-5-methyl-3-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(4-cyano-5-methyl-3-nitro-pyrazol-1-yl)ethanoate Openeye Name: benzyl 2-(4-cyano-5-methyl-3-nitro-pyrazol-1-yl)acetate CAS Name: 2-(4-cyano-5-methyl-3-nitro-1-pyrazolyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-cyano-5-methyl-3-nitropyrazol-1-yl)acetate Traditional Name: 2-(4-cyano-5-methyl-3-nitro-pyrazol-1-yl)acetic acid benzyl ester Formula: C14H12N4O4 MolecularWeight: 300.26948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC2=CC=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC2=CC=CC=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H12N4O4/c1-10-12(7-15)14(18(20)21)16-17(10)8-13(19)22-9-11-5-3-2-4-6-11/h2-6H,8-9H2,1H3