3-(pyrrol-1-ylmethyl)phthalic acid

Systemtic Name: 3-(pyrrol-1-ylmethyl)phthalic acid Openeye Name: 3-(pyrrol-1-ylmethyl)phthalic acid CAS Name: 3-(1-pyrrolylmethyl)phthalic acid IUPAC Name: 3-(pyrrol-1-ylmethyl)phthalic acid Traditional Name: 3-(pyrrol-1-ylmethyl)phthalic acid Formula: C13H11NO4 MolecularWeight: 245.23074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)CC2=CC=CC(=C2C(=O)O)C(=O)O

Isomeric SMILES

C1=CN(C=C1)CC2=CC=CC(=C2C(=O)O)C(=O)O

InChI

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