1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(4-nitrophenyl)methyl]piperazine-2-carboxylic acid

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(4-nitrophenyl)methyl]piperazine-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[(4-nitrophenyl)methyl]piperazine-2-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-[(4-nitrophenyl)methyl]-2-piperazinecarboxylic acid IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(4-nitrophenyl)methyl]piperazine-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-(4-nitrobenzyl)piperazine-2-carboxylic acid Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1C(=O)O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1C(=O)O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O6/c1-17(2,3)26-16(23)19-9-8-18(11-14(19)15(21)22)10-12-4-6-13(7-5-12)20(24)25/h4-7,14H,8-11H2,1-3H3,(H,21,22)