benzaldehyde; 2-(2,3-dimethylpyrrol-2-yl)ethanoate

Systemtic Name: benzaldehyde; 2-(2,3-dimethylpyrrol-2-yl)ethanoate Openeye Name: benzaldehyde; 2-(2,3-dimethylpyrrol-2-yl)acetate CAS Name: benzaldehyde; 2-(2,3-dimethyl-2-pyrrolyl)acetate IUPAC Name: benzaldehyde; 2-(2,3-dimethylpyrrol-2-yl)acetate Traditional Name: benzaldehyde; 2-(2,3-dimethylpyrrol-2-yl)acetate Formula: C15H16NO3- MolecularWeight: 258.29244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NC1(C)CC(=O)[O-].C1=CC=C(C=C1)C=O

Isomeric SMILES

CC1=CC=NC1(C)CC(=O)[O-].C1=CC=C(C=C1)C=O

InChI

InChI=1S/C8H11NO2.C7H6O/c1-6-3-4-9-8(6,2)5-7(10)11;8-6-7-4-2-1-3-5-7/h3-4H,5H2,1-2H3,(H,10,11);1-6H/p-1