(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)COC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)COC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C17H12N6O3/c24-16-13-9-5-4-8-12(13)15(19-20-16)17(25)26-10-14-18-21-22-23(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,20,24)