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

Systemtic Name: 3-[5-(azaniumylmethyl)-2-bromanyl-4-(2-oxidanidyl-2-oxidanylidene-ethyl)-1H-pyrrol-3-yl]propanoate Openeye Name: 3-[5-(azaniumylmethyl)-2-bromo-4-(2-oxido-2-oxo-ethyl)-1H-pyrrol-3-yl]propanoate CAS Name: 3-[5-(ammoniomethyl)-2-bromo-4-(2-oxido-2-oxoethyl)-1H-pyrrol-3-yl]propanoate IUPAC Name: 3-[5-(azaniumylmethyl)-2-bromo-4-(2-oxido-2-oxoethyl)-1H-pyrrol-3-yl]propanoate Traditional Name: 3-[5-(ammoniomethyl)-2-bromo-4-(2-keto-2-oxido-ethyl)-1H-pyrrol-3-yl]propionate Formula: C10H12BrN2O4- MolecularWeight: 304.11728

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)[O-])C1=C(NC(=C1CC(=O)[O-])C[NH3+])Br

Isomeric SMILES

C(CC(=O)[O-])C1=C(NC(=C1CC(=O)[O-])C[NH3+])Br

InChI

InChI=1S/C10H13BrN2O4/c11-10-5(1-2-8(14)15)6(3-9(16)17)7(4-12)13-10/h13H,1-4,12H2,(H,14,15)(H,16,17)/p-1