[2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [2-[[2-(methylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [2-keto-2-[[2-keto-2-(methylamino)ethyl]amino]ethyl] ester Formula: C14H17BrN2O6 MolecularWeight: 389.19858

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CNC(=O)COC(=O)C1=CC(=C(C(=C1)OC)Br)OC

Isomeric SMILES

CNC(=O)CNC(=O)COC(=O)C1=CC(=C(C(=C1)OC)Br)OC

InChI

InChI=1S/C14H17BrN2O6/c1-16-11(18)6-17-12(19)7-23-14(20)8-4-9(21-2)13(15)10(5-8)22-3/h4-5H,6-7H2,1-3H3,(H,16,18)(H,17,19)