dimethyl 5-[[(3,4-dichlorophenyl)amino]methyl]-1,4-dihydropyrazole-3,5-dicarboxylate

Systemtic Name: dimethyl 5-[[(3,4-dichlorophenyl)amino]methyl]-1,4-dihydropyrazole-3,5-dicarboxylate Openeye Name: dimethyl 5-[(3,4-dichloroanilino)methyl]-1,4-dihydropyrazole-3,5-dicarboxylate CAS Name: 5-[(3,4-dichloroanilino)methyl]-1,4-dihydropyrazole-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3,4-dichloroanilino)methyl]-1,4-dihydropyrazole-3,5-dicarboxylate Traditional Name: 3-[(3,4-dichloroanilino)methyl]-2-pyrazoline-3,5-dicarboxylic acid dimethyl ester Formula: C14H15Cl2N3O4 MolecularWeight: 360.1926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NNC(C1)(CNC2=CC(=C(C=C2)Cl)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=NNC(C1)(CNC2=CC(=C(C=C2)Cl)Cl)C(=O)OC

InChI

InChI=1S/C14H15Cl2N3O4/c1-22-12(20)11-6-14(19-18-11,13(21)23-2)7-17-8-3-4-9(15)10(16)5-8/h3-5,17,19H,6-7H2,1-2H3