2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-[(8-oxidanidylquinolin-2-yl)methyl]amino]ethanoate

Systemtic Name: 2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-[(8-oxidanidylquinolin-2-yl)methyl]amino]ethanoate Openeye Name: 2-[2-[bis(2-oxido-2-oxo-ethyl)amino]ethyl-[(8-oxido-2-quinolyl)methyl]amino]acetate CAS Name: 2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-[(8-oxido-2-quinolinyl)methyl]amino]acetate IUPAC Name: 2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-[(8-oxidoquinolin-2-yl)methyl]amino]acetate Traditional Name: 2-[2-[bis(2-keto-2-oxido-ethyl)amino]ethyl-[(8-oxido-2-quinolyl)methyl]amino]acetate Formula: C18H17N3O7-4 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[O-])N=C(C=C2)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)[O-])N=C(C=C2)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C18H21N3O7/c22-14-3-1-2-12-4-5-13(19-18(12)14)8-20(9-15(23)24)6-7-21(10-16(25)26)11-17(27)28/h1-5,22H,6-11H2,(H,23,24)(H,25,26)(H,27,28)/p-4