3-[4-(dimethylamino)-5-(3-oxidanidyl-3-oxidanylidene-propyl)-1H-pyrrol-3-yl]propanoate

Systemtic Name: 3-[4-(dimethylamino)-5-(3-oxidanidyl-3-oxidanylidene-propyl)-1H-pyrrol-3-yl]propanoate Openeye Name: 3-[4-(dimethylamino)-5-(3-oxido-3-oxo-propyl)-1H-pyrrol-3-yl]propanoate CAS Name: 3-[4-(dimethylamino)-5-(3-oxido-3-oxopropyl)-1H-pyrrol-3-yl]propanoate IUPAC Name: 3-[4-(dimethylamino)-5-(3-oxido-3-oxopropyl)-1H-pyrrol-3-yl]propanoate Traditional Name: 3-[4-(dimethylamino)-5-(3-keto-3-oxido-propyl)-1H-pyrrol-3-yl]propionate Formula: C12H16N2O4-2 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(NC=C1CCC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

CN(C)C1=C(NC=C1CCC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C12H18N2O4/c1-14(2)12-8(3-5-10(15)16)7-13-9(12)4-6-11(17)18/h7,13H,3-6H2,1-2H3,(H,15,16)(H,17,18)/p-2