3-[5-(azaniumylmethyl)-4-(2-oxidanidyl-2-oxidanylidene-ethyl)-1H-pyrrol-3-yl]propanoate

Systemtic Name: 3-[5-(azaniumylmethyl)-4-(2-oxidanidyl-2-oxidanylidene-ethyl)-1H-pyrrol-3-yl]propanoate Openeye Name: 3-[5-(azaniumylmethyl)-4-(2-oxido-2-oxo-ethyl)-1H-pyrrol-3-yl]propanoate CAS Name: 3-[5-(ammoniomethyl)-4-(2-oxido-2-oxoethyl)-1H-pyrrol-3-yl]propanoate IUPAC Name: 3-[5-(azaniumylmethyl)-4-(2-oxido-2-oxoethyl)-1H-pyrrol-3-yl]propanoate Traditional Name: 3-[5-(ammoniomethyl)-4-(2-keto-2-oxido-ethyl)-1H-pyrrol-3-yl]propionate Formula: C10H13N2O4- MolecularWeight: 225.22122

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(N1)C[NH3+])CC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

C1=C(C(=C(N1)C[NH3+])CC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)/p-1