5-[3-[(4-bromophenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[3-[(4-bromophenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[3-[(4-bromophenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[3-[(4-bromophenyl)iminomethyl]-2,5-dimethyl-1-pyrrolyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[3-[(4-bromophenyl)iminomethyl]-2,5-dimethylpyrrol-1-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[3-[(4-bromophenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]isophthalic acid Formula: C21H17BrN2O4 MolecularWeight: 441.27468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H17BrN2O4/c1-12-7-16(11-23-18-5-3-17(22)4-6-18)13(2)24(12)19-9-14(20(25)26)8-15(10-19)21(27)28/h3-11H,1-2H3,(H,25,26)(H,27,28)