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

Systemtic Name: 3-[2-(3-methylphenoxy)ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(3-methylphenoxy)ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(3-methylphenoxy)ethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(3-methylphenoxy)ethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-(3-methylphenoxy)ethyl]phthalazine-1-carboxylate Formula: C18H15N2O4- MolecularWeight: 323.3227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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