2-[[6-(3-bromophenyl)-2-methyl-pyridin-3-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[6-(3-bromophenyl)-2-methyl-pyridin-3-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[6-(3-bromophenyl)-2-methyl-pyridine-3-carbonyl]amino]terephthalic acid CAS Name: 2-[[[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]amino]terephthalic acid Traditional Name: 2-[[6-(3-bromophenyl)-2-methyl-nicotinoyl]amino]terephthalic acid Formula: C21H15BrN2O5 MolecularWeight: 455.2582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H15BrN2O5/c1-11-15(7-8-17(23-11)12-3-2-4-14(22)9-12)19(25)24-18-10-13(20(26)27)5-6-16(18)21(28)29/h2-10H,1H3,(H,24,25)(H,26,27)(H,28,29)