4-[(2,6-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[(2,6-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[(2,6-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid CAS Name: 4-[(2,6-dimethylanilino)-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[(2,6-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid Traditional Name: 4-[(2,6-dimethylphenyl)carbamoyl]isophthalic acid Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=C(C=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=C(C=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C17H15NO5/c1-9-4-3-5-10(2)14(9)18-15(19)12-7-6-11(16(20)21)8-13(12)17(22)23/h3-8H,1-2H3,(H,18,19)(H,20,21)(H,22,23)