ethyl 4-oxidanylidene-3-phenyl-pyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-3-phenyl-pyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylate Openeye Name: ethyl 4-oxo-3-phenyl-pyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylate CAS Name: 4-oxo-3-phenyl-8-pyrazolo[5,1-d][1,2,3,5]tetrazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-3-phenylpyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylate Traditional Name: 4-keto-3-phenyl-pyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid ethyl ester Formula: C13H11N5O3 MolecularWeight: 285.25814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N=NN(C(=O)N2N=C1)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C2N=NN(C(=O)N2N=C1)C3=CC=CC=C3

InChI

InChI=1S/C13H11N5O3/c1-2-21-12(19)10-8-14-18-11(10)15-16-17(13(18)20)9-6-4-3-5-7-9/h3-8H,2H2,1H3