(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-4-pyrazolecarboxylic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)pyrazole-4-carboxylic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C23H18ClN3O5 MolecularWeight: 451.85912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C23H18ClN3O5/c1-14(28)26-18-6-7-19-16(8-22(29)32-21(19)9-18)13-31-23(30)17-10-25-27(12-17)11-15-4-2-3-5-20(15)24/h2-10,12H,11,13H2,1H3,(H,26,28)