3-[2-(2,6-dimethylphenoxy)ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-(2,6-dimethylphenoxy)ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(2,6-dimethylphenoxy)ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(2,6-dimethylphenoxy)ethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(2,6-dimethylphenoxy)ethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(2,6-dimethylphenoxy)ethyl]-4-keto-phthalazine-1-carboxylate Formula: C19H17N2O4- MolecularWeight: 337.34928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C19H18N2O4/c1-12-6-5-7-13(2)17(12)25-11-10-21-18(22)15-9-4-3-8-14(15)16(20-21)19(23)24/h3-9H,10-11H2,1-2H3,(H,23,24)/p-1