2-(4-bromanylphenoxy)ethyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 2-(4-bromophenoxy)ethyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid 2-(4-bromophenoxy)ethyl ester Formula: C18H15BrN2O4 MolecularWeight: 403.2267

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=CC=C(C=C3)Br

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H15BrN2O4/c1-21-17(22)15-5-3-2-4-14(15)16(20-21)18(23)25-11-10-24-13-8-6-12(19)7-9-13/h2-9H,10-11H2,1H3