1-(3-chloranyl-4-methyl-phenyl)-5-phenyl-pyrazole-3,4-dicarboxylic acid

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-5-phenyl-pyrazole-3,4-dicarboxylic acid Openeye Name: 1-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrazole-3,4-dicarboxylic acid CAS Name: 1-(3-chloro-4-methylphenyl)-5-phenylpyrazole-3,4-dicarboxylic acid IUPAC Name: 1-(3-chloro-4-methylphenyl)-5-phenylpyrazole-3,4-dicarboxylic acid Traditional Name: 1-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrazole-3,4-dicarboxylic acid Formula: C18H13ClN2O4 MolecularWeight: 356.75982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C(=O)O)C(=O)O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C(=O)O)C(=O)O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C18H13ClN2O4/c1-10-7-8-12(9-13(10)19)21-16(11-5-3-2-4-6-11)14(17(22)23)15(20-21)18(24)25/h2-9H,1H3,(H,22,23)(H,24,25)