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

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

Systemtic Name:3-[(3,5-dinitro-4-piperidin-1-yl-phenyl)carbonylamino]benzoic acid
Openeye Name:3-[[3,5-dinitro-4-(1-piperidyl)benzoyl]amino]benzoic acid
CAS Name:3-[[[3,5-dinitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]benzoic acid
IUPAC Name:3-[(3,5-dinitro-4-piperidin-1-ylbenzoyl)amino]benzoic acid
Traditional Name:3-[(3,5-dinitro-4-piperidino-benzoyl)amino]benzoic acid
Formula: C19H18N4O7
MolecularWeight: 414.36882
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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C19H18N4O7/c24-18(20-14-6-4-5-12(9-14)19(25)26)13-10-15(22(27)28)17(16(11-13)23(29)30)21-7-2-1-3-8-21/h4-6,9-11H,1-3,7-8H2,(H,20,24)(H,25,26)


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