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

Systemtic Name: methyl 2-methyl-5-(4-nitrophenyl)-6-propan-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Openeye Name: methyl 6-isopropyl-2-methyl-5-(4-nitrophenyl)-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate CAS Name: 2-methyl-5-(4-nitrophenyl)-6-propan-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-(4-nitrophenyl)-6-propan-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Traditional Name: 6-isopropyl-2-methyl-5-(4-nitrophenyl)-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester Formula: C14H19N5O4 MolecularWeight: 321.33176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1NN(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC(C)C1NN(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C14H19N5O4/c1-9(2)12-15-17(3)13(14(20)23-4)16-18(12)10-5-7-11(8-6-10)19(21)22/h5-9,12,15H,1-4H3