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

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 2-(3-bromophenoxy)ethyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid 2-(3-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(=CC=C3)Br

Isomeric SMILES

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

InChI

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