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

Systemtic Name: 3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl]phthalazine-1-carboxylic acid Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1CCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C20H19N3O5/c1-28-16-9-5-2-6-13(16)10-11-21-17(24)12-23-19(25)15-8-4-3-7-14(15)18(22-23)20(26)27/h2-9H,10-12H2,1H3,(H,21,24)(H,26,27)