3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-12(16-10-13(29-2)8-9-17(16)30-3)22-18(25)11-24-20(26)15-7-5-4-6-14(15)19(23-24)21(27)28/h4-10,12H,11H2,1-3H3,(H,22,25)(H,27,28)