4-oxidanylidene-3-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[(1-propyltetrazol-5-yl)methyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[(1-propyl-5-tetrazolyl)methyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[(1-propyltetrazol-5-yl)methyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[(1-propyltetrazol-5-yl)methyl]phthalazine-1-carboxylic acid Formula: C14H14N6O3 MolecularWeight: 314.29936

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CCCN1C(=NN=N1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C14H14N6O3/c1-2-7-19-11(15-17-18-19)8-20-13(21)10-6-4-3-5-9(10)12(16-20)14(22)23/h3-6H,2,7-8H2,1H3,(H,22,23)