3-[3-[2,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[3-[2,4-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-4-keto-phthalazine-1-carboxamide Formula: C18H15Cl2N3O4 MolecularWeight: 408.2354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(COC3=C(C=C(C=C3)Cl)Cl)O)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(COC3=C(C=C(C=C3)Cl)Cl)O)C(=O)N

InChI

InChI=1S/C18H15Cl2N3O4/c19-10-5-6-15(14(20)7-10)27-9-11(24)8-23-18(26)13-4-2-1-3-12(13)16(22-23)17(21)25/h1-7,11,24H,8-9H2,(H2,21,25)