3-(3-methylbut-2-enyl)-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-(3-methylbut-2-enyl)-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-(3-methylbut-2-enyl)-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-(3-methylbut-2-enyl)-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-(3-methylbut-2-enyl)-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-(3-methylbut-2-enyl)phthalazine-1-carboxylic acid Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O)C

Isomeric SMILES

CC(=CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O)C

InChI

InChI=1S/C14H14N2O3/c1-9(2)7-8-16-13(17)11-6-4-3-5-10(11)12(15-16)14(18)19/h3-7H,8H2,1-2H3,(H,18,19)