methyl 2-methyl-5-phenyl-6-pyridin-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate

Systemtic Name: methyl 2-methyl-5-phenyl-6-pyridin-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Openeye Name: methyl 2-methyl-5-phenyl-6-(2-pyridyl)-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate CAS Name: 2-methyl-5-phenyl-6-(2-pyridinyl)-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-phenyl-6-pyridin-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Traditional Name: 2-methyl-5-phenyl-6-(2-pyridyl)-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C(N1)C2=CC=CC=N2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN1C(=NN(C(N1)C2=CC=CC=N2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C16H17N5O2/c1-20-15(16(22)23-2)19-21(12-8-4-3-5-9-12)14(18-20)13-10-6-7-11-17-13/h3-11,14,18H,1-2H3