2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-3-phenyl-propanoate

Systemtic Name: 2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-3-phenyl-propanoate Openeye Name: 2-[2-[bis(2-oxido-2-oxo-ethyl)amino]ethyl-(2-oxido-2-oxo-ethyl)amino]-3-phenyl-propanoate CAS Name: 2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]-3-phenylpropanoate IUPAC Name: 2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]-3-phenylpropanoate Traditional Name: 2-[2-[bis(2-keto-2-oxido-ethyl)amino]ethyl-(2-keto-2-oxido-ethyl)amino]-3-phenyl-propionate Formula: C17H18N2O8-4 MolecularWeight: 378.33342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O8/c20-14(21)9-18(10-15(22)23)6-7-19(11-16(24)25)13(17(26)27)8-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27)/p-4