3-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[1-(benzofuran-2-yl)ethylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[1-(2-benzofuranyl)ethylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[1-(benzofuran-2-yl)ethylamino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CC(C1=CC2=CC=CC=C2O1)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C21H17N3O5/c1-12(17-10-13-6-2-5-9-16(13)29-17)22-18(25)11-24-20(26)15-8-4-3-7-14(15)19(23-24)21(27)28/h2-10,12H,11H2,1H3,(H,22,25)(H,27,28)