ethyl 2-methyl-6-(4-nitrophenyl)-5-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate

Systemtic Name: ethyl 2-methyl-6-(4-nitrophenyl)-5-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Openeye Name: ethyl 2-methyl-6-(4-nitrophenyl)-5-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate CAS Name: 2-methyl-6-(4-nitrophenyl)-5-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-6-(4-nitrophenyl)-5-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Traditional Name: 2-methyl-6-(4-nitrophenyl)-5-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid ethyl ester Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(NN1C)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(NN1C)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H19N5O4/c1-3-27-18(24)17-20-22(14-7-5-4-6-8-14)16(19-21(17)2)13-9-11-15(12-10-13)23(25)26/h4-12,16,19H,3H2,1-2H3