2-[(2-carboxy-5-chloranyl-phenyl)amino]-3,6-dimethyl-benzoic acid

Systemtic Name: 2-[(2-carboxy-5-chloranyl-phenyl)amino]-3,6-dimethyl-benzoic acid Openeye Name: 2-(2-carboxy-5-chloro-anilino)-3,6-dimethyl-benzoic acid CAS Name: 2-(2-carboxy-5-chloroanilino)-3,6-dimethylbenzoic acid IUPAC Name: 2-(2-carboxy-5-chloroanilino)-3,6-dimethylbenzoic acid Traditional Name: 2-(2-carboxy-5-chloro-anilino)-3,6-dimethyl-benzoic acid Formula: C16H14ClNO4 MolecularWeight: 319.73966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)NC2=C(C=CC(=C2)Cl)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)C)NC2=C(C=CC(=C2)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C16H14ClNO4/c1-8-3-4-9(2)14(13(8)16(21)22)18-12-7-10(17)5-6-11(12)15(19)20/h3-7,18H,1-2H3,(H,19,20)(H,21,22)