dimethyl 1-[4-azanyl-2-(phenylcarbonyl)phenyl]pyrazole-3,5-dicarboxylate

Systemtic Name: dimethyl 1-[4-azanyl-2-(phenylcarbonyl)phenyl]pyrazole-3,5-dicarboxylate Openeye Name: dimethyl 1-(4-amino-2-benzoyl-phenyl)pyrazole-3,5-dicarboxylate CAS Name: 1-(4-amino-2-benzoylphenyl)pyrazole-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(4-amino-2-benzoylphenyl)pyrazole-3,5-dicarboxylate Traditional Name: 1-(4-amino-2-benzoyl-phenyl)pyrazole-3,5-dicarboxylic acid dimethyl ester Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NN1C2=C(C=C(C=C2)N)C(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=NN1C2=C(C=C(C=C2)N)C(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H17N3O5/c1-27-19(25)15-11-17(20(26)28-2)23(22-15)16-9-8-13(21)10-14(16)18(24)12-6-4-3-5-7-12/h3-11H,21H2,1-2H3