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

Systemtic Name: ethyl 3-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)benzoate Openeye Name: ethyl 3-(3-formyl-2,5-dimethyl-pyrrol-1-yl)benzoate CAS Name: 3-(3-formyl-2,5-dimethyl-1-pyrrolyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-(3-formyl-2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 3-(3-formyl-2,5-dimethyl-pyrrol-1-yl)benzoic acid ethyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=O)C

InChI

InChI=1S/C16H17NO3/c1-4-20-16(19)13-6-5-7-15(9-13)17-11(2)8-14(10-18)12(17)3/h5-10H,4H2,1-3H3