3-(4-azanylidene-3-cyano-2-oxidanylidene-pentyl)-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-(4-azanylidene-3-cyano-2-oxidanylidene-pentyl)-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-(3-cyano-4-imino-2-oxo-pentyl)-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-(3-cyano-4-imino-2-oxopentyl)-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-(3-cyano-4-imino-2-oxopentyl)-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-(3-cyano-4-imino-2-keto-pentyl)-4-keto-phthalazine-1-carboxylic acid Formula: C15H12N4O4 MolecularWeight: 312.28018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

Isomeric SMILES

CC(=N)C(C#N)C(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

InChI

InChI=1S/C15H12N4O4/c1-8(17)11(6-16)12(20)7-19-14(21)10-5-3-2-4-9(10)13(18-19)15(22)23/h2-5,11,17H,7H2,1H3,(H,22,23)