3-(3-cyanopropyl)-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-(3-cyanopropyl)-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-(3-cyanopropyl)-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-(3-cyanopropyl)-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-(3-cyanopropyl)-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-(3-cyanopropyl)-4-keto-phthalazine-1-carboxylic acid Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCCC#N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCCC#N)C(=O)O

InChI

InChI=1S/C13H11N3O3/c14-7-3-4-8-16-12(17)10-6-2-1-5-9(10)11(15-16)13(18)19/h1-2,5-6H,3-4,8H2,(H,18,19)