[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=NN(C=C1OC)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC(C)(C)C)OC(=O)C1=NN(C=C1OC)C2=CC=CC=C2

InChI

InChI=1S/C18H23N3O4/c1-12(16(22)19-18(2,3)4)25-17(23)15-14(24-5)11-21(20-15)13-9-7-6-8-10-13/h6-12H,1-5H3,(H,19,22)