5-chloranyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: 5-chloranyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: 6-(4-tert-butoxycarbonylpiperazin-1-yl)-5-chloro-pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-(4-tert-butoxycarbonylpiperazino)-5-chloro-nicotinate Formula: C15H19ClN3O4- MolecularWeight: 340.78206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=N2)C(=O)[O-])Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=N2)C(=O)[O-])Cl

InChI

InChI=1S/C15H20ClN3O4/c1-15(2,3)23-14(22)19-6-4-18(5-7-19)12-11(16)8-10(9-17-12)13(20)21/h8-9H,4-7H2,1-3H3,(H,20,21)/p-1