4-methyl-2-[2-(4-methylphenyl)carbonyloxy-2-oxidanylidene-ethyl]-1H-pyrrole-3-carboxylic acid

Systemtic Name: 4-methyl-2-[2-(4-methylphenyl)carbonyloxy-2-oxidanylidene-ethyl]-1H-pyrrole-3-carboxylic acid Openeye Name: 4-methyl-2-[2-(4-methylbenzoyl)oxy-2-oxo-ethyl]-1H-pyrrole-3-carboxylic acid CAS Name: 4-methyl-2-[2-[(4-methylphenyl)-oxomethoxy]-2-oxoethyl]-1H-pyrrole-3-carboxylic acid IUPAC Name: 4-methyl-2-[2-(4-methylbenzoyl)oxy-2-oxoethyl]-1H-pyrrole-3-carboxylic acid Traditional Name: 2-(2-keto-2-p-toluoyloxy-ethyl)-4-methyl-1H-pyrrole-3-carboxylic acid Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(=O)CC2=C(C(=CN2)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC(=O)CC2=C(C(=CN2)C)C(=O)O

InChI

InChI=1S/C16H15NO5/c1-9-3-5-11(6-4-9)16(21)22-13(18)7-12-14(15(19)20)10(2)8-17-12/h3-6,8,17H,7H2,1-2H3,(H,19,20)