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

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C21H22ClN3O5 MolecularWeight: 431.86948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C)Cl)CC(C)C

InChI

InChI=1S/C21H22ClN3O5/c1-11(2)9-25-20(22)19(12(3)24-25)21(28)29-10-14-7-18(27)30-17-8-15(23-13(4)26)5-6-16(14)17/h5-8,11H,9-10H2,1-4H3,(H,23,26)