(Z)-[4,5-bis(carboxymethyloxy)-2-nitro-phenoxy]imino-(diethylamino)-oxidanidyl-azanium

Systemtic Name: (Z)-[4,5-bis(carboxymethyloxy)-2-nitro-phenoxy]imino-(diethylamino)-oxidanidyl-azanium Openeye Name: (Z)-[4,5-bis(carboxymethyloxy)-2-nitro-phenoxy]imino-(diethylamino)-oxido-ammonium CAS Name: (Z)-[4,5-bis(carboxymethyloxy)-2-nitrophenoxy]imino-(diethylamino)-oxidoammonium IUPAC Name: (Z)-[4,5-bis(carboxymethyloxy)-2-nitrophenoxy]imino-(diethylamino)-oxidoazanium Traditional Name: (Z)-[4,5-bis(carboxymethyloxy)-2-nitro-phenyl]oximino-(diethylamino)-oxido-ammonium Formula: C14H18N4O10 MolecularWeight: 402.31352

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)[N+](=NOC1=CC(=C(C=C1[N+](=O)[O-])OCC(=O)O)OCC(=O)O)[O-]

Isomeric SMILES

CCN(CC)/[N+](=N/OC1=CC(=C(C=C1[N+](=O)[O-])OCC(=O)O)OCC(=O)O)/[O-]

InChI

InChI=1S/C14H18N4O10/c1-3-16(4-2)18(25)15-28-10-6-12(27-8-14(21)22)11(26-7-13(19)20)5-9(10)17(23)24/h5-6H,3-4,7-8H2,1-2H3,(H,19,20)(H,21,22)/b18-15-