dimethyl 5-[[(2-bromanyl-4-methyl-phenyl)amino]methyl]-1,4-dihydropyrazole-3,5-dicarboxylate

Systemtic Name: dimethyl 5-[[(2-bromanyl-4-methyl-phenyl)amino]methyl]-1,4-dihydropyrazole-3,5-dicarboxylate Openeye Name: dimethyl 5-[(2-bromo-4-methyl-anilino)methyl]-1,4-dihydropyrazole-3,5-dicarboxylate CAS Name: 5-[(2-bromo-4-methylanilino)methyl]-1,4-dihydropyrazole-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-bromo-4-methylanilino)methyl]-1,4-dihydropyrazole-3,5-dicarboxylate Traditional Name: 3-[(2-bromo-4-methyl-anilino)methyl]-2-pyrazoline-3,5-dicarboxylic acid dimethyl ester Formula: C15H18BrN3O4 MolecularWeight: 384.22512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCC2(CC(=NN2)C(=O)OC)C(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NCC2(CC(=NN2)C(=O)OC)C(=O)OC)Br

InChI

InChI=1S/C15H18BrN3O4/c1-9-4-5-11(10(16)6-9)17-8-15(14(21)23-3)7-12(18-19-15)13(20)22-2/h4-6,17,19H,7-8H2,1-3H3