5-[2-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-nitro-benzoic acid

Systemtic Name: 5-[2-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-nitro-benzoic acid Openeye Name: 5-(2-tert-butoxycarbonylpiperazin-1-yl)-2-nitro-benzoic acid CAS Name: 5-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-2-nitrobenzoic acid IUPAC Name: 5-[2-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-nitrobenzoic acid Traditional Name: 5-(2-tert-butoxycarbonylpiperazino)-2-nitro-benzoic acid Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CNCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C1CNCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H21N3O6/c1-16(2,3)25-15(22)13-9-17-6-7-18(13)10-4-5-12(19(23)24)11(8-10)14(20)21/h4-5,8,13,17H,6-7,9H2,1-3H3,(H,20,21)