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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

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