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

Systemtic Name: 2-[[4-[(3,5-dinitro-4-piperidin-1-yl-phenyl)carbonylamino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[[3,5-dinitro-4-(1-piperidyl)benzoyl]amino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[[3,5-dinitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[(3,5-dinitro-4-piperidin-1-ylbenzoyl)amino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[(3,5-dinitro-4-piperidino-benzoyl)amino]benzoyl]amino]acetic acid Formula: C21H21N5O8 MolecularWeight: 471.42014

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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)NCC(=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)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O8/c27-18(28)12-22-20(29)13-4-6-15(7-5-13)23-21(30)14-10-16(25(31)32)19(17(11-14)26(33)34)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9,12H2,(H,22,29)(H,23,30)(H,27,28)