benzaldehyde; 2-(2,3,4-trimethylpyrrol-2-yl)ethanoate

Systemtic Name: benzaldehyde; 2-(2,3,4-trimethylpyrrol-2-yl)ethanoate Openeye Name: benzaldehyde; 2-(2,3,4-trimethylpyrrol-2-yl)acetate CAS Name: benzaldehyde; 2-(2,3,4-trimethyl-2-pyrrolyl)acetate IUPAC Name: benzaldehyde; 2-(2,3,4-trimethylpyrrol-2-yl)acetate Traditional Name: benzaldehyde; 2-(2,3,4-trimethylpyrrol-2-yl)acetate Formula: C16H18NO3- MolecularWeight: 272.31902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO2.C7H6O/c1-6-5-10-9(3,7(6)2)4-8(11)12;8-6-7-4-2-1-3-5-7/h5H,4H2,1-3H3,(H,11,12);1-6H/p-1