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

Systemtic Name: 3-[2-(3-bromanylphenoxy)ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(3-bromophenoxy)ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(3-bromophenoxy)ethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(3-bromophenoxy)ethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(3-bromophenoxy)ethyl]-4-keto-phthalazine-1-carboxylate Formula: C17H12BrN2O4- MolecularWeight: 388.19218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCOC3=CC(=CC=C3)Br)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCOC3=CC(=CC=C3)Br)C(=O)[O-]

InChI

InChI=1S/C17H13BrN2O4/c18-11-4-3-5-12(10-11)24-9-8-20-16(21)14-7-2-1-6-13(14)15(19-20)17(22)23/h1-7,10H,8-9H2,(H,22,23)/p-1