2-(2-methylphenoxy)ethyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: 2-(2-methylphenoxy)ethyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: 2-(2-methylphenoxy)ethyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid 2-(2-methylphenoxy)ethyl ester IUPAC Name: 2-(2-methylphenoxy)ethyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid 2-(2-methylphenoxy)ethyl ester Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCOC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=CC=CC=C1OCCOC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H16N2O4/c1-12-6-2-5-9-15(12)23-10-11-24-18(22)16-13-7-3-4-8-14(13)17(21)20-19-16/h2-9H,10-11H2,1H3,(H,20,21)