diethyl 4-(2-azanyl-4-chloranyl-phenyl)carbonyl-1H-pyrazole-3,5-dicarboxylate

Systemtic Name: diethyl 4-(2-azanyl-4-chloranyl-phenyl)carbonyl-1H-pyrazole-3,5-dicarboxylate Openeye Name: diethyl 4-(2-amino-4-chloro-benzoyl)-1H-pyrazole-3,5-dicarboxylate CAS Name: 4-[(2-amino-4-chlorophenyl)-oxomethyl]-1H-pyrazole-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-amino-4-chlorobenzoyl)-1H-pyrazole-3,5-dicarboxylate Traditional Name: 4-(2-amino-4-chloro-benzoyl)-1H-pyrazole-3,5-dicarboxylic acid diethyl ester Formula: C16H16ClN3O5 MolecularWeight: 365.76834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1)C(=O)OCC)C(=O)C2=C(C=C(C=C2)Cl)N

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1)C(=O)OCC)C(=O)C2=C(C=C(C=C2)Cl)N

InChI

InChI=1S/C16H16ClN3O5/c1-3-24-15(22)12-11(13(20-19-12)16(23)25-4-2)14(21)9-6-5-8(17)7-10(9)18/h5-7H,3-4,18H2,1-2H3,(H,19,20)