1-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-(dimethylaminomethyl)-1,2,4-triazole-3-carbaldehyde; ethanedioic acid

Systemtic Name: 1-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-(dimethylaminomethyl)-1,2,4-triazole-3-carbaldehyde; ethanedioic acid Openeye Name: 1-(2-benzoyl-4-chloro-phenyl)-5-(dimethylaminomethyl)-1,2,4-triazole-3-carbaldehyde; oxalic acid CAS Name: 1-(2-benzoyl-4-chlorophenyl)-5-(dimethylaminomethyl)-1,2,4-triazole-3-carboxaldehyde; oxalic acid IUPAC Name: 1-(2-benzoyl-4-chlorophenyl)-5-(dimethylaminomethyl)-1,2,4-triazole-3-carbaldehyde; oxalic acid Traditional Name: 1-(2-benzoyl-4-chloro-phenyl)-5-(dimethylaminomethyl)-1,2,4-triazole-3-carbaldehyde; oxalic acid Formula: C21H19ClN4O6 MolecularWeight: 458.85176

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=NC(=NN1C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C=O.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CC1=NC(=NN1C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C=O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H17ClN4O2.C2H2O4/c1-23(2)11-18-21-17(12-25)22-24(18)16-9-8-14(20)10-15(16)19(26)13-6-4-3-5-7-13;3-1(4)2(5)6/h3-10,12H,11H2,1-2H3;(H,3,4)(H,5,6)