4-[(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)methyl]benzoate

Systemtic Name: 4-[(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)methyl]benzoate Openeye Name: 4-[(3-formyl-2,5-dimethyl-pyrrol-1-yl)methyl]benzoate CAS Name: 4-[(3-formyl-2,5-dimethyl-1-pyrrolyl)methyl]benzoate IUPAC Name: 4-[(3-formyl-2,5-dimethylpyrrol-1-yl)methyl]benzoate Traditional Name: 4-[(3-formyl-2,5-dimethyl-pyrrol-1-yl)methyl]benzoate Formula: C15H14NO3- MolecularWeight: 256.27656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=C(C=C2)C(=O)[O-])C)C=O

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=C(C=C2)C(=O)[O-])C)C=O

InChI

InChI=1S/C15H15NO3/c1-10-7-14(9-17)11(2)16(10)8-12-3-5-13(6-4-12)15(18)19/h3-7,9H,8H2,1-2H3,(H,18,19)/p-1