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

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

Systemtic Name:4-[(2-methylpropan-2-yl)oxycarbonyl]-2-nitro-3-piperazin-1-yl-benzoic acid
Openeye Name:4-tert-butoxycarbonyl-2-nitro-3-piperazin-1-yl-benzoic acid
CAS Name:4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-nitro-3-(1-piperazinyl)benzoic acid
IUPAC Name:4-[(2-methylpropan-2-yl)oxycarbonyl]-2-nitro-3-piperazin-1-ylbenzoic acid
Traditional Name:4-tert-butoxycarbonyl-2-nitro-3-piperazino-benzoic acid
Formula: C16H21N3O6
MolecularWeight: 351.35444
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C(=C(C=C1)C(=O)O)[N+](=O)[O-])N2CCNCC2


Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C(=C(C=C1)C(=O)O)[N+](=O)[O-])N2CCNCC2


InChI

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


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