3-[[2,5-bis(methoxycarbonyl)-4-[(3-oxidanidyl-3-oxidanylidene-propyl)amino]phenyl]amino]propanoate

Systemtic Name: 3-[[2,5-bis(methoxycarbonyl)-4-[(3-oxidanidyl-3-oxidanylidene-propyl)amino]phenyl]amino]propanoate Openeye Name: 3-[2,5-bis(methoxycarbonyl)-4-[(3-oxido-3-oxo-propyl)amino]anilino]propanoate CAS Name: 3-[2,5-bis(methoxycarbonyl)-4-[(3-oxido-3-oxopropyl)amino]anilino]propanoate IUPAC Name: 3-[2,5-bis(methoxycarbonyl)-4-[(3-oxido-3-oxopropyl)amino]anilino]propanoate Traditional Name: 3-[2,5-dicarbomethoxy-4-[(3-keto-3-oxido-propyl)amino]anilino]propionate Formula: C16H18N2O8-2 MolecularWeight: 366.32272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1NCCC(=O)[O-])C(=O)OC)NCCC(=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1NCCC(=O)[O-])C(=O)OC)NCCC(=O)[O-]

InChI

InChI=1S/C16H20N2O8/c1-25-15(23)9-7-12(18-6-4-14(21)22)10(16(24)26-2)8-11(9)17-5-3-13(19)20/h7-8,17-18H,3-6H2,1-2H3,(H,19,20)(H,21,22)/p-2