4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carbaldehyde

Systemtic Name: 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carbaldehyde Openeye Name: 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carbaldehyde CAS Name: 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxaldehyde IUPAC Name: 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carbaldehyde Traditional Name: 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carbaldehyde Formula: C9H12ClNO MolecularWeight: 189.675327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCCl)C)C=O

Isomeric SMILES

[2H]CC1=C(C(=C(N1)C=O)C([2H])([2H])[2H])CCCl

InChI

InChI=1S/C9H12ClNO/c1-6-8(3-4-10)7(2)11-9(6)5-12/h5,11H,3-4H2,1-2H3/i1D3,2D