4-[(3-chloranyl-4-methyl-phenyl)carbamoyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[(3-chloranyl-4-methyl-phenyl)carbamoyl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[(3-chloro-4-methyl-phenyl)carbamoyl]benzene-1,3-dicarboxylic acid CAS Name: 4-[(3-chloro-4-methylanilino)-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[(3-chloro-4-methylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid Traditional Name: 4-[(3-chloro-4-methyl-phenyl)carbamoyl]isophthalic acid Formula: C16H12ClNO5 MolecularWeight: 333.72318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClNO5/c1-8-2-4-10(7-13(8)17)18-14(19)11-5-3-9(15(20)21)6-12(11)16(22)23/h2-7H,1H3,(H,18,19)(H,20,21)(H,22,23)