[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-[(3-tert-butylisoxazol-5-yl)amino]-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[(3-tert-butyl-5-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-[(3-tert-butylisoxazol-5-yl)amino]-2-keto-ethyl] ester Formula: C21H23ClN4O4 MolecularWeight: 430.88472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC(=NO2)C(C)(C)C)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC(=NO2)C(C)(C)C)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H23ClN4O4/c1-13-18(19(22)26(24-13)11-14-8-6-5-7-9-14)20(28)29-12-16(27)23-17-10-15(25-30-17)21(2,3)4/h5-10H,11-12H2,1-4H3,(H,23,27)