2-azanyl-3-(pyrrol-1-ylmethyl)benzoic acid

Systemtic Name: 2-azanyl-3-(pyrrol-1-ylmethyl)benzoic acid Openeye Name: 2-amino-3-(pyrrol-1-ylmethyl)benzoic acid CAS Name: 2-amino-3-(1-pyrrolylmethyl)benzoic acid IUPAC Name: 2-amino-3-(pyrrol-1-ylmethyl)benzoic acid Traditional Name: 2-amino-3-(pyrrol-1-ylmethyl)benzoic acid Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)CC2=CC=CC(=C2N)C(=O)O

Isomeric SMILES

C1=CN(C=C1)CC2=CC=CC(=C2N)C(=O)O

InChI

InChI=1S/C12H12N2O2/c13-11-9(8-14-6-1-2-7-14)4-3-5-10(11)12(15)16/h1-7H,8,13H2,(H,15,16)