2,2-dimethylpropanoate; 2,4,5-tris(bromanyl)-1-(hydroxymethyl)pyrrole-3-carbonitrile

Systemtic Name: 2,2-dimethylpropanoate; 2,4,5-tris(bromanyl)-1-(hydroxymethyl)pyrrole-3-carbonitrile Openeye Name: 2,2-dimethylpropanoate; 2,4,5-tribromo-1-(hydroxymethyl)pyrrole-3-carbonitrile CAS Name: 2,2-dimethylpropanoate; 2,4,5-tribromo-1-(hydroxymethyl)-3-pyrrolecarbonitrile IUPAC Name: 2,2-dimethylpropanoate; 2,4,5-tribromo-1-(hydroxymethyl)pyrrole-3-carbonitrile Traditional Name: 2,2-dimethylpropionate; 2,4,5-tribromo-1-methylol-pyrrole-3-carbonitrile Formula: C11H12Br3N2O3- MolecularWeight: 459.93658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)[O-].C(N1C(=C(C(=C1Br)Br)C#N)Br)O

Isomeric SMILES

CC(C)(C)C(=O)[O-].C(N1C(=C(C(=C1Br)Br)C#N)Br)O

InChI

InChI=1S/C6H3Br3N2O.C5H10O2/c7-4-3(1-10)5(8)11(2-12)6(4)9;1-5(2,3)4(6)7/h12H,2H2;1-3H3,(H,6,7)/p-1