[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-[ethyl(2-methylallyl)amino]-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-[ethyl(2-methylallyl)amino]-2-keto-ethyl] ester Formula: C18H20BrN3O3 MolecularWeight: 406.2737

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=C)C)C(=O)COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br

Isomeric SMILES

CCN(CC(=C)C)C(=O)COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H20BrN3O3/c1-4-22(10-12(2)3)17(23)11-25-18(24)16-9-15(20-21-16)13-5-7-14(19)8-6-13/h5-9H,2,4,10-11H2,1,3H3,(H,20,21)