3-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C17H11ClN2O5 MolecularWeight: 358.73264

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)Cl

InChI

InChI=1S/C17H11ClN2O5/c18-12-5-9(6-13-15(12)25-8-24-13)7-20-16(21)11-4-2-1-3-10(11)14(19-20)17(22)23/h1-6H,7-8H2,(H,22,23)