[2-[2-(4-bromanylphenoxy)ethyl-methyl-amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-[2-(4-bromanylphenoxy)ethyl-methyl-amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[2-(4-bromophenoxy)ethyl-methyl-amino]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-[2-(4-bromophenoxy)ethyl-methyl-amino]-2-keto-ethyl] ester Formula: C17H18BrN3O4 MolecularWeight: 408.24652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)N(C)CCOC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)N(C)CCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H18BrN3O4/c1-12-9-20-15(10-19-12)17(23)25-11-16(22)21(2)7-8-24-14-5-3-13(18)4-6-14/h3-6,9-10H,7-8,11H2,1-2H3