methyl 4-chloranyl-1-(4-nitrophenyl)-5-phenyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-chloranyl-1-(4-nitrophenyl)-5-phenyl-pyrazole-3-carboxylate Openeye Name: methyl 4-chloro-1-(4-nitrophenyl)-5-phenyl-pyrazole-3-carboxylate CAS Name: 4-chloro-1-(4-nitrophenyl)-5-phenyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-chloro-1-(4-nitrophenyl)-5-phenylpyrazole-3-carboxylate Traditional Name: 4-chloro-1-(4-nitrophenyl)-5-phenyl-pyrazole-3-carboxylic acid methyl ester Formula: C17H12ClN3O4 MolecularWeight: 357.74788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=C1Cl)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=NN(C(=C1Cl)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O4/c1-25-17(22)15-14(18)16(11-5-3-2-4-6-11)20(19-15)12-7-9-13(10-8-12)21(23)24/h2-10H,1H3