3-[2-(2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-(2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H16N4O6 MolecularWeight: 408.36424

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)C(=O)N

Isomeric SMILES

C1C(OC2=CC=CC=C2N1C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)C(=O)N

InChI

InChI=1S/C20H16N4O6/c21-18(26)15-9-23(13-7-3-4-8-14(13)30-15)16(25)10-24-19(27)12-6-2-1-5-11(12)17(22-24)20(28)29/h1-8,15H,9-10H2,(H2,21,26)(H,28,29)