ethyl 1-(4-chlorophenyl)-4-(2-oxidanylidenechromen-3-yl)carbonyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-chlorophenyl)-4-(2-oxidanylidenechromen-3-yl)carbonyl-pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-chlorophenyl)-4-(2-oxochromene-3-carbonyl)pyrazole-3-carboxylate CAS Name: 1-(4-chlorophenyl)-4-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-chlorophenyl)-4-(2-oxochromene-3-carbonyl)pyrazole-3-carboxylate Traditional Name: 1-(4-chlorophenyl)-4-(2-ketochromene-3-carbonyl)pyrazole-3-carboxylic acid ethyl ester Formula: C22H15ClN2O5 MolecularWeight: 422.8179

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1C(=O)C2=CC3=CC=CC=C3OC2=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=NN(C=C1C(=O)C2=CC3=CC=CC=C3OC2=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H15ClN2O5/c1-2-29-22(28)19-17(12-25(24-19)15-9-7-14(23)8-10-15)20(26)16-11-13-5-3-4-6-18(13)30-21(16)27/h3-12H,2H2,1H3