methyl 1-methyl-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyrazole-3-carboxylate

Systemtic Name: methyl 1-methyl-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyrazole-3-carboxylate Openeye Name: methyl 5-[3-(tert-butoxycarbonylamino)phenyl]-1-methyl-pyrazole-3-carboxylate CAS Name: 1-methyl-5-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyrazole-3-carboxylate Traditional Name: 5-[3-(tert-butoxycarbonylamino)phenyl]-1-methyl-pyrazole-3-carboxylic acid methyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C2=CC(=NN2C)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C2=CC(=NN2C)C(=O)OC

InChI

InChI=1S/C17H21N3O4/c1-17(2,3)24-16(22)18-12-8-6-7-11(9-12)14-10-13(15(21)23-5)19-20(14)4/h6-10H,1-5H3,(H,18,22)