3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylate Formula: C15H17N2O3- MolecularWeight: 273.30708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

InChI

InChI=1S/C15H18N2O3/c1-2-3-4-7-10-17-14(18)12-9-6-5-8-11(12)13(16-17)15(19)20/h5-6,8-9H,2-4,7,10H2,1H3,(H,19,20)/p-1