(E)-[4,5-bis(carboxymethyloxy)-2-nitro-phenyl]methoxyimino-(diethylamino)-oxidanidyl-azanium

Systemtic Name: (E)-[4,5-bis(carboxymethyloxy)-2-nitro-phenyl]methoxyimino-(diethylamino)-oxidanidyl-azanium Openeye Name: (E)-[4,5-bis(carboxymethyloxy)-2-nitro-phenyl]methoxyimino-(diethylamino)-oxido-ammonium CAS Name: (E)-[4,5-bis(carboxymethyloxy)-2-nitrophenyl]methoxyimino-(diethylamino)-oxidoammonium IUPAC Name: (E)-[4,5-bis(carboxymethyloxy)-2-nitrophenyl]methoxyimino-(diethylamino)-oxidoazanium Traditional Name: (E)-[4,5-bis(carboxymethyloxy)-2-nitro-benzyl]oximino-(diethylamino)-oxido-ammonium Formula: C15H20N4O10 MolecularWeight: 416.3401

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)[N+](=NOCC1=CC(=C(C=C1[N+](=O)[O-])OCC(=O)O)OCC(=O)O)[O-]

Isomeric SMILES

CCN(CC)/[N+](=N\OCC1=CC(=C(C=C1[N+](=O)[O-])OCC(=O)O)OCC(=O)O)/[O-]

InChI

InChI=1S/C15H20N4O10/c1-3-17(4-2)19(26)16-29-7-10-5-12(27-8-14(20)21)13(28-9-15(22)23)6-11(10)18(24)25/h5-6H,3-4,7-9H2,1-2H3,(H,20,21)(H,22,23)/b19-16+