3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-isopentyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(3-methylbutyl)-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-(3-methylbutyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isoamyl-4-keto-phthalazine-1-carboxylate Formula: C14H15N2O3- MolecularWeight: 259.2805

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

InChI

InChI=1S/C14H16N2O3/c1-9(2)7-8-16-13(17)11-6-4-3-5-10(11)12(15-16)14(18)19/h3-6,9H,7-8H2,1-2H3,(H,18,19)/p-1