tert-butyl 4-[(7-bromanyl-1-oxidanylidene-phthalazin-2-yl)methyl]benzoate

Systemtic Name: tert-butyl 4-[(7-bromanyl-1-oxidanylidene-phthalazin-2-yl)methyl]benzoate Openeye Name: tert-butyl 4-[(7-bromo-1-oxo-phthalazin-2-yl)methyl]benzoate CAS Name: 4-[(7-bromo-1-oxo-2-phthalazinyl)methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(7-bromo-1-oxophthalazin-2-yl)methyl]benzoate Traditional Name: 4-[(7-bromo-1-keto-phthalazin-2-yl)methyl]benzoic acid tert-butyl ester Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)C=N2

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)C=N2

InChI

InChI=1S/C20H19BrN2O3/c1-20(2,3)26-19(25)14-6-4-13(5-7-14)12-23-18(24)17-10-16(21)9-8-15(17)11-22-23/h4-11H,12H2,1-3H3