2,5-dimethyl-1-prop-2-ynyl-pyrrole-3-carboxylic acid

Systemtic Name: 2,5-dimethyl-1-prop-2-ynyl-pyrrole-3-carboxylic acid Openeye Name: 2,5-dimethyl-1-prop-2-ynyl-pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-1-prop-2-ynyl-3-pyrrolecarboxylic acid IUPAC Name: 2,5-dimethyl-1-prop-2-ynylpyrrole-3-carboxylic acid Traditional Name: 2,5-dimethyl-1-propargyl-pyrrole-3-carboxylic acid Formula: C10H11NO2 MolecularWeight: 177.19984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC#C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1CC#C)C)C(=O)O

InChI

InChI=1S/C10H11NO2/c1-4-5-11-7(2)6-9(8(11)3)10(12)13/h1,6H,5H2,2-3H3,(H,12,13)