ethyl 3-(4-chlorophenyl)-1-(2,4-dinitrophenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-(4-chlorophenyl)-1-(2,4-dinitrophenyl)pyrazole-4-carboxylate Openeye Name: ethyl 3-(4-chlorophenyl)-1-(2,4-dinitrophenyl)pyrazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-1-(2,4-dinitrophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorophenyl)-1-(2,4-dinitrophenyl)pyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-(2,4-dinitrophenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C18H13ClN4O6 MolecularWeight: 416.77202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN(N=C1C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN4O6/c1-2-29-18(24)14-10-21(20-17(14)11-3-5-12(19)6-4-11)15-8-7-13(22(25)26)9-16(15)23(27)28/h3-10H,2H2,1H3