5-methyl-2-oxidanylidene-1-(phenylmethyl)-3H-pyrrole-4-carboxylic acid

Systemtic Name: 5-methyl-2-oxidanylidene-1-(phenylmethyl)-3H-pyrrole-4-carboxylic acid Openeye Name: 1-benzyl-5-methyl-2-oxo-3H-pyrrole-4-carboxylic acid CAS Name: 5-methyl-2-oxo-1-(phenylmethyl)-3H-pyrrole-4-carboxylic acid IUPAC Name: 1-benzyl-5-methyl-2-oxo-3H-pyrrole-4-carboxylic acid Traditional Name: 1-benzyl-5-keto-2-methyl-2-pyrroline-3-carboxylic acid Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=O)N1CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(CC(=O)N1CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H13NO3/c1-9-11(13(16)17)7-12(15)14(9)8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,16,17)