3-[2-[2-[[3-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[2-[2-[[3-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxo-ethoxy]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[2-[3-[(cyclopropylamino)-oxomethyl]anilino]-2-oxoethoxy]-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 3-[2-[2-[3-(cyclopropylcarbamoyl)anilino]-2-keto-ethoxy]-2-keto-ethyl]-4-keto-phthalazin-1-olate Formula: C22H19N4O6- MolecularWeight: 435.40946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)COC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)COC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C22H20N4O6/c27-18(23-15-5-3-4-13(10-15)20(29)24-14-8-9-14)12-32-19(28)11-26-22(31)17-7-2-1-6-16(17)21(30)25-26/h1-7,10,14H,8-9,11-12H2,(H,23,27)(H,24,29)(H,25,30)/p-1