methyl 5-(4-cyanophenyl)-2-methyl-6-propan-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate

Systemtic Name: methyl 5-(4-cyanophenyl)-2-methyl-6-propan-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Openeye Name: methyl 5-(4-cyanophenyl)-6-isopropyl-2-methyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate CAS Name: 5-(4-cyanophenyl)-2-methyl-6-propan-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-cyanophenyl)-2-methyl-6-propan-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Traditional Name: 5-(4-cyanophenyl)-6-isopropyl-2-methyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester Formula: C15H19N5O2 MolecularWeight: 301.34366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1NN(C(=NN1C2=CC=C(C=C2)C#N)C(=O)OC)C

Isomeric SMILES

CC(C)C1NN(C(=NN1C2=CC=C(C=C2)C#N)C(=O)OC)C

InChI

InChI=1S/C15H19N5O2/c1-10(2)13-17-19(3)14(15(21)22-4)18-20(13)12-7-5-11(9-16)6-8-12/h5-8,10,13,17H,1-4H3