methyl 6-bromanyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate

Systemtic Name: methyl 6-bromanyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate Openeye Name: methyl 6-bromo-4-(2-tert-butoxy-2-oxo-ethyl)-2-methyl-1,3-dioxo-isoquinoline-4-carboxylate CAS Name: 6-bromo-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-dioxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-dioxoisoquinoline-4-carboxylate Traditional Name: 6-bromo-4-(2-tert-butoxy-2-keto-ethyl)-1,3-diketo-2-methyl-isoquinoline-4-carboxylic acid methyl ester Formula: C18H20BrNO6 MolecularWeight: 426.2585

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1(C2=C(C=CC(=C2)Br)C(=O)N(C1=O)C)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)CC1(C2=C(C=CC(=C2)Br)C(=O)N(C1=O)C)C(=O)OC

InChI

InChI=1S/C18H20BrNO6/c1-17(2,3)26-13(21)9-18(16(24)25-5)12-8-10(19)6-7-11(12)14(22)20(4)15(18)23/h6-8H,9H2,1-5H3