3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C19H15ClN2O5 MolecularWeight: 386.7858

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)Cl)OC1

InChI

InChI=1S/C19H15ClN2O5/c20-14-8-11(9-15-17(14)27-7-3-6-26-15)10-22-18(23)13-5-2-1-4-12(13)16(21-22)19(24)25/h1-2,4-5,8-9H,3,6-7,10H2,(H,24,25)