3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate

Systemtic Name: 3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate Openeye Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate IUPAC Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Formula: C9H12NO3- MolecularWeight: 182.19648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(C)O)C)C(=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1[C@H](C)O)C)C(=O)[O-]

InChI

InChI=1S/C9H13NO3/c1-4-7(6(3)11)5(2)10-8(4)9(12)13/h6,10-11H,1-3H3,(H,12,13)/p-1/t6-/m0/s1