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

Systemtic Name: methyl 6-(furan-2-yl)-5-(4-iodophenyl)-2-methyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Openeye Name: methyl 6-(2-furyl)-5-(4-iodophenyl)-2-methyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate CAS Name: 6-(2-furanyl)-5-(4-iodophenyl)-2-methyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(furan-2-yl)-5-(4-iodophenyl)-2-methyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Traditional Name: 6-(2-furyl)-5-(4-iodophenyl)-2-methyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester Formula: C15H15IN4O3 MolecularWeight: 426.20907

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C(N1)C2=CC=CO2)C3=CC=C(C=C3)I)C(=O)OC

Isomeric SMILES

CN1C(=NN(C(N1)C2=CC=CO2)C3=CC=C(C=C3)I)C(=O)OC

InChI

InChI=1S/C15H15IN4O3/c1-19-14(15(21)22-2)18-20(11-7-5-10(16)6-8-11)13(17-19)12-4-3-9-23-12/h3-9,13,17H,1-2H3