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

Systemtic Name: 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-nitro-benzoic acid Openeye Name: 4-(4-tert-butoxycarbonylpiperazin-1-yl)-3-nitro-benzoic acid CAS Name: 4-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-3-nitrobenzoic acid IUPAC Name: 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-nitrobenzoic acid Traditional Name: 4-(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=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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