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

Systemtic Name: [2-[bis(2-methoxyethyl)amino]-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-[bis(2-methoxyethyl)amino]-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-[bis(2-methoxyethyl)amino]-2-keto-ethyl] ester Formula: C18H22BrN3O5 MolecularWeight: 440.28838

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)C(=O)COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br

Isomeric SMILES

COCCN(CCOC)C(=O)COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H22BrN3O5/c1-25-9-7-22(8-10-26-2)17(23)12-27-18(24)16-11-15(20-21-16)13-3-5-14(19)6-4-13/h3-6,11H,7-10,12H2,1-2H3,(H,20,21)