3-[(2-methanoylpyrrol-1-yl)methyl]benzoate

Systemtic Name: 3-[(2-methanoylpyrrol-1-yl)methyl]benzoate Openeye Name: 3-[(2-formylpyrrol-1-yl)methyl]benzoate CAS Name: 3-[(2-formyl-1-pyrrolyl)methyl]benzoate IUPAC Name: 3-[(2-formylpyrrol-1-yl)methyl]benzoate Traditional Name: 3-[(2-formylpyrrol-1-yl)methyl]benzoate Formula: C13H10NO3- MolecularWeight: 228.2234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=CC=C2C=O)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=CC=C2C=O)C(=O)[O-]

InChI

InChI=1S/C13H11NO3/c15-9-12-5-2-6-14(12)8-10-3-1-4-11(7-10)13(16)17/h1-7,9H,8H2,(H,16,17)/p-1