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2-[(3,5-dinitro-4-piperidin-1-yl-phenyl)carbonylamino]ethanoic acid

2-[(3,5-dinitro-4-piperidin-1-yl-phenyl)carbonylamino]ethanoic acid

Systemtic Name:2-[(3,5-dinitro-4-piperidin-1-yl-phenyl)carbonylamino]ethanoic acid
Openeye Name:2-[[3,5-dinitro-4-(1-piperidyl)benzoyl]amino]acetic acid
CAS Name:2-[[[3,5-dinitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]acetic acid
IUPAC Name:2-[(3,5-dinitro-4-piperidin-1-ylbenzoyl)amino]acetic acid
Traditional Name:2-[(3,5-dinitro-4-piperidino-benzoyl)amino]acetic acid
Formula: C14H16N4O7
MolecularWeight: 352.29944
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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)NCC(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)NCC(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C14H16N4O7/c19-12(20)8-15-14(21)9-6-10(17(22)23)13(11(7-9)18(24)25)16-4-2-1-3-5-16/h6-7H,1-5,8H2,(H,15,21)(H,19,20)


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