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2,4-dimethyl-5-(oxidanylidenemethyl)-1H-pyrrole-3-carboxylic acid

2,4-dimethyl-5-(oxidanylidenemethyl)-1H-pyrrole-3-carboxylic acid

Systemtic Name:2,4-dimethyl-5-(oxidanylidenemethyl)-1H-pyrrole-3-carboxylic acid
Openeye Name:2,4-dimethyl-5-(oxomethyl)-1H-pyrrole-3-carboxylic acid
CAS Name:2,4-dimethyl-5-(oxomethyl)-1H-pyrrole-3-carboxylic acid
IUPAC Name:2,4-dimethyl-5-(oxomethyl)-1H-pyrrole-3-carboxylic acid
Traditional Name:5-(ketomethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
Formula: C8H9NO3
MolecularWeight: 168.154615
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)O)C)C=O


Isomeric SMILES

CC1=C(NC(=C1C(=O)O)C)[13CH]=O


InChI

InChI=1S/C8H9NO3/c1-4-6(3-10)9-5(2)7(4)8(11)12/h3,9H,1-2H3,(H,11,12)/i3+1


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