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

Systemtic Name: [2-[bis(prop-2-enyl)amino]-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(diallylamino)-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-[bis(prop-2-enyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-(diallylamino)-2-keto-ethyl] ester Formula: C18H18BrN3O3 MolecularWeight: 404.25782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O3/c1-3-9-22(10-4-2)17(23)12-25-18(24)16-11-15(20-21-16)13-5-7-14(19)8-6-13/h3-8,11H,1-2,9-10,12H2,(H,20,21)