4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylate IUPAC Name: 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylate Formula: C14H15N2O3- MolecularWeight: 259.2805

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

InChI

InChI=1S/C14H16N2O3/c1-2-3-6-9-16-13(17)11-8-5-4-7-10(11)12(15-16)14(18)19/h4-5,7-8H,2-3,6,9H2,1H3,(H,18,19)/p-1