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

Systemtic Name: 5-[3-[(4-carboxyphenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[3-[(4-carboxyphenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[3-[(4-carboxyphenyl)iminomethyl]-2,5-dimethyl-1-pyrrolyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[3-[(4-carboxyphenyl)iminomethyl]-2,5-dimethylpyrrol-1-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[3-[(4-carboxyphenyl)iminomethyl]-2,5-dimethyl-pyrrol-1-yl]isophthalic acid Formula: C22H18N2O6 MolecularWeight: 406.38812

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O6/c1-12-7-17(11-23-18-5-3-14(4-6-18)20(25)26)13(2)24(12)19-9-15(21(27)28)8-16(10-19)22(29)30/h3-11H,1-2H3,(H,25,26)(H,27,28)(H,29,30)