[2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate

Systemtic Name: [2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-oxidanylidenepentanoate Openeye Name: [2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C17H21BrN2O5 MolecularWeight: 413.26304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)COC(=O)CCC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)COC(=O)CCC(=O)C

InChI

InChI=1S/C17H21BrN2O5/c1-11-8-13(18)5-6-14(11)19-15(22)9-20(3)16(23)10-25-17(24)7-4-12(2)21/h5-6,8H,4,7,9-10H2,1-3H3,(H,19,22)