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

Systemtic Name: 4-[(3,5-dinitro-4-piperidin-1-yl-phenyl)carbonylamino]benzoic acid Openeye Name: 4-[[3,5-dinitro-4-(1-piperidyl)benzoyl]amino]benzoic acid CAS Name: 4-[[[3,5-dinitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(3,5-dinitro-4-piperidin-1-ylbenzoyl)amino]benzoic acid Traditional Name: 4-[(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=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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