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

Systemtic Name: 2-[[4-[(4-morpholin-4-yl-3,5-dinitro-phenyl)carbonylamino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[(4-morpholino-3,5-dinitro-benzoyl)amino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[[4-(4-morpholinyl)-3,5-dinitrophenyl]-oxomethyl]amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[(4-morpholin-4-yl-3,5-dinitrobenzoyl)amino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[(4-morpholino-3,5-dinitro-benzoyl)amino]benzoyl]amino]acetic acid Formula: C20H19N5O9 MolecularWeight: 473.39296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=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

C1COCCN1C2=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/C20H19N5O9/c26-17(27)11-21-19(28)12-1-3-14(4-2-12)22-20(29)13-9-15(24(30)31)18(16(10-13)25(32)33)23-5-7-34-8-6-23/h1-4,9-10H,5-8,11H2,(H,21,28)(H,22,29)(H,26,27)