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

Systemtic Name: methyl 5-(4-iodophenyl)-2-methyl-6-propan-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Openeye Name: methyl 5-(4-iodophenyl)-6-isopropyl-2-methyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate CAS Name: 5-(4-iodophenyl)-2-methyl-6-propan-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-iodophenyl)-2-methyl-6-propan-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Traditional Name: 5-(4-iodophenyl)-6-isopropyl-2-methyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester Formula: C14H19IN4O2 MolecularWeight: 402.23073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1NN(C(=NN1C2=CC=C(C=C2)I)C(=O)OC)C

Isomeric SMILES

CC(C)C1NN(C(=NN1C2=CC=C(C=C2)I)C(=O)OC)C

InChI

InChI=1S/C14H19IN4O2/c1-9(2)12-16-18(3)13(14(20)21-4)17-19(12)11-7-5-10(15)6-8-11/h5-9,12,16H,1-4H3