2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-nitro-benzoic acid

Systemtic Name: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-nitro-benzoic acid Openeye Name: 2-(4-tert-butoxycarbonylpiperazin-1-yl)-3-nitro-benzoic acid CAS Name: 2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-3-nitrobenzoic acid IUPAC Name: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-nitrobenzoic acid Traditional Name: 2-(4-tert-butoxycarbonylpiperazino)-3-nitro-benzoic acid Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O

InChI

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