3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(veratrylamino)ethyl]phthalazine-1-carboxylic acid Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)OC

InChI

InChI=1S/C20H19N3O6/c1-28-15-8-7-12(9-16(15)29-2)10-21-17(24)11-23-19(25)14-6-4-3-5-13(14)18(22-23)20(26)27/h3-9H,10-11H2,1-2H3,(H,21,24)(H,26,27)