1-(phenylmethyl)pyrrole-3,4-dicarboxylic acid

Systemtic Name: 1-(phenylmethyl)pyrrole-3,4-dicarboxylic acid Openeye Name: 1-benzylpyrrole-3,4-dicarboxylic acid CAS Name: 1-(phenylmethyl)pyrrole-3,4-dicarboxylic acid IUPAC Name: 1-benzylpyrrole-3,4-dicarboxylic acid Traditional Name: 1-benzylpyrrole-3,4-dicarboxylic acid Formula: C13H11NO4 MolecularWeight: 245.23074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C13H11NO4/c15-12(16)10-7-14(8-11(10)13(17)18)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,15,16)(H,17,18)