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

Systemtic Name: 2-[(4-morpholin-4-yl-3,5-dinitro-phenyl)carbonylamino]ethanoic acid Openeye Name: 2-[(4-morpholino-3,5-dinitro-benzoyl)amino]acetic acid CAS Name: 2-[[[4-(4-morpholinyl)-3,5-dinitrophenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[(4-morpholin-4-yl-3,5-dinitrobenzoyl)amino]acetic acid Traditional Name: 2-[(4-morpholino-3,5-dinitro-benzoyl)amino]acetic acid Formula: C13H14N4O8 MolecularWeight: 354.27226

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2[N+](=O)[O-])C(=O)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O8/c18-11(19)7-14-13(20)8-5-9(16(21)22)12(10(6-8)17(23)24)15-1-3-25-4-2-15/h5-6H,1-4,7H2,(H,14,20)(H,18,19)