3-[3-[(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[3-[(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[3-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-3-oxo-propyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[3-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-3-oxopropyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[3-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-3-oxopropyl]-4-oxophthalazin-1-olate Traditional Name: 3-[3-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-3-keto-propyl]-4-keto-phthalazin-1-olate Formula: C20H17ClN3O5- MolecularWeight: 414.81908

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)[O-])Cl)OC1

InChI

InChI=1S/C20H18ClN3O5/c21-14-10-16-17(29-9-3-8-28-16)11-15(14)22-18(25)6-7-24-20(27)13-5-2-1-4-12(13)19(26)23-24/h1-2,4-5,10-11H,3,6-9H2,(H,22,25)(H,23,26)/p-1