2,5-bis[(2-chloranyl-4-methyl-phenyl)amino]cyclohexa-1,4-diene-1,4-dicarboxylic acid

Systemtic Name: 2,5-bis[(2-chloranyl-4-methyl-phenyl)amino]cyclohexa-1,4-diene-1,4-dicarboxylic acid Openeye Name: 2,5-bis(2-chloro-4-methyl-anilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid CAS Name: 2,5-bis(2-chloro-4-methylanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid IUPAC Name: 2,5-bis(2-chloro-4-methylanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid Traditional Name: 2,5-bis(2-chloro-4-methyl-anilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid Formula: C22H20Cl2N2O4 MolecularWeight: 447.3112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(CC(=C(C2)C(=O)O)NC3=C(C=C(C=C3)C)Cl)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(CC(=C(C2)C(=O)O)NC3=C(C=C(C=C3)C)Cl)C(=O)O)Cl

InChI

InChI=1S/C22H20Cl2N2O4/c1-11-3-5-17(15(23)7-11)25-19-9-14(22(29)30)20(10-13(19)21(27)28)26-18-6-4-12(2)8-16(18)24/h3-8,25-26H,9-10H2,1-2H3,(H,27,28)(H,29,30)