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1,4-dimethyl-2-(2-oxidanylidenepropyl)pyrrole-3-carboxylic acid

1,4-dimethyl-2-(2-oxidanylidenepropyl)pyrrole-3-carboxylic acid

Systemtic Name:1,4-dimethyl-2-(2-oxidanylidenepropyl)pyrrole-3-carboxylic acid
Openeye Name:2-acetonyl-1,4-dimethyl-pyrrole-3-carboxylic acid
CAS Name:1,4-dimethyl-2-(2-oxopropyl)-3-pyrrolecarboxylic acid
IUPAC Name:1,4-dimethyl-2-(2-oxopropyl)pyrrole-3-carboxylic acid
Traditional Name:2-acetonyl-1,4-dimethyl-pyrrole-3-carboxylic acid
Formula: C10H13NO3
MolecularWeight: 195.21512
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=C1C(=O)O)CC(=O)C)C


Isomeric SMILES

CC1=CN(C(=C1C(=O)O)CC(=O)C)C


InChI

InChI=1S/C10H13NO3/c1-6-5-11(3)8(4-7(2)12)9(6)10(13)14/h5H,4H2,1-3H3,(H,13,14)


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