3-heptyl-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-heptyl-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-heptyl-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-heptyl-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-heptyl-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-heptyl-4-keto-phthalazine-1-carboxylic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

Isomeric SMILES

CCCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

InChI

InChI=1S/C16H20N2O3/c1-2-3-4-5-8-11-18-15(19)13-10-7-6-9-12(13)14(17-18)16(20)21/h6-7,9-10H,2-5,8,11H2,1H3,(H,20,21)