methyl 4-nitro-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-nitro-1-phenyl-pyrazole-3-carboxylate Openeye Name: methyl 4-nitro-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-nitro-1-phenyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-nitro-1-phenylpyrazole-3-carboxylate Traditional Name: 4-nitro-1-phenyl-pyrazole-3-carboxylic acid methyl ester Formula: C11H9N3O4 MolecularWeight: 247.20686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N3O4/c1-18-11(15)10-9(14(16)17)7-13(12-10)8-5-3-2-4-6-8/h2-7H,1H3