3-[2-[[4-(4-ethoxyphenoxy)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[4-(4-ethoxyphenoxy)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[4-(4-ethoxyphenoxy)anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C25H21N3O6 MolecularWeight: 459.45074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C25H21N3O6/c1-2-33-17-11-13-19(14-12-17)34-18-9-7-16(8-10-18)26-22(29)15-28-24(30)21-6-4-3-5-20(21)23(27-28)25(31)32/h3-14H,2,15H2,1H3,(H,26,29)(H,31,32)