3-methyl-5-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3-methyl-5-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 5-[(E)-3-tert-butoxy-3-oxo-prop-1-enyl]-3-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-methyl-5-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-methyl-5-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 5-[(E)-3-tert-butoxy-3-keto-prop-1-enyl]-3-methyl-1H-pyrrole-2-carboxylic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1)C=CC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1)/C=C/C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C13H17NO4/c1-8-7-9(14-11(8)12(16)17)5-6-10(15)18-13(2,3)4/h5-7,14H,1-4H3,(H,16,17)/b6-5+