(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C22H16ClN3O5 MolecularWeight: 437.83254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H16ClN3O5/c1-12(27)24-16-6-7-17-14(8-21(28)31-20(17)9-16)11-30-22(29)19-10-18(25-26-19)13-2-4-15(23)5-3-13/h2-10H,11H2,1H3,(H,24,27)(H,25,26)