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

Systemtic Name: 4-oxidanylidene-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[(1-phenyltetrazol-5-yl)methyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[(1-phenyl-5-tetrazolyl)methyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[(1-phenyltetrazol-5-yl)methyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[(1-phenyltetrazol-5-yl)methyl]phthalazine-1-carboxylic acid Formula: C17H12N6O3 MolecularWeight: 348.31558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C17H12N6O3/c24-16-13-9-5-4-8-12(13)15(17(25)26)19-22(16)10-14-18-20-21-23(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,25,26)