3-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)benzoate

Systemtic Name: 3-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)benzoate Openeye Name: 3-(3-formyl-2,5-dimethyl-pyrrol-1-yl)benzoate CAS Name: 3-(3-formyl-2,5-dimethyl-1-pyrrolyl)benzoate IUPAC Name: 3-(3-formyl-2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 3-(3-formyl-2,5-dimethyl-pyrrol-1-yl)benzoate Formula: C14H12NO3- MolecularWeight: 242.24998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)[O-])C)C=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)[O-])C)C=O

InChI

InChI=1S/C14H13NO3/c1-9-6-12(8-16)10(2)15(9)13-5-3-4-11(7-13)14(17)18/h3-8H,1-2H3,(H,17,18)/p-1