ethyl 4-cyano-3-(hydroxymethyl)-5-[tris(bromanyl)methyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-(hydroxymethyl)-5-[tris(bromanyl)methyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-cyano-3-(hydroxymethyl)-5-(tribromomethyl)-1H-pyrrole-2-carboxylate CAS Name: 4-cyano-3-(hydroxymethyl)-5-(tribromomethyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-(hydroxymethyl)-5-(tribromomethyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-cyano-3-methylol-5-(tribromomethyl)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C10H9Br3N2O3 MolecularWeight: 444.90206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C(Br)(Br)Br)C#N)CO

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C(Br)(Br)Br)C#N)CO

InChI

InChI=1S/C10H9Br3N2O3/c1-2-18-9(17)7-6(4-16)5(3-14)8(15-7)10(11,12)13/h15-16H,2,4H2,1H3