5-[2-cyano-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propanoyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-[2-cyano-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propanoyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 5-(3-tert-butoxy-2-cyano-3-oxo-propanoyl)-1H-pyrrole-2-carboxylic acid CAS Name: 5-[2-cyano-3-[(2-methylpropan-2-yl)oxy]-1,3-dioxopropyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-[2-cyano-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 5-(3-tert-butoxy-2-cyano-3-keto-propanoyl)-1H-pyrrole-2-carboxylic acid Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C#N)C(=O)C1=CC=C(N1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C(C#N)C(=O)C1=CC=C(N1)C(=O)O

InChI

InChI=1S/C13H14N2O5/c1-13(2,3)20-12(19)7(6-14)10(16)8-4-5-9(15-8)11(17)18/h4-5,7,15H,1-3H3,(H,17,18)