(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 5-nitrofuran-2-carboxylate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 5-nitrofuran-2-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C17H12N4O5 MolecularWeight: 352.30098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H12N4O5/c1-11-13(9-18)14(20(19-11)12-5-3-2-4-6-12)10-25-17(22)15-7-8-16(26-15)21(23)24/h2-8H,10H2,1H3