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

Systemtic Name: ethyl (6R)-6-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Openeye Name: ethyl (6R)-6-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate CAS Name: (6R)-6-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Traditional Name: (6R)-6-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid ethyl ester Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(NN1C)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN([C@@H](NN1C)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C19H20N4O4/c1-3-25-19(24)18-21-23(14-7-5-4-6-8-14)17(20-22(18)2)13-9-10-15-16(11-13)27-12-26-15/h4-11,17,20H,3,12H2,1-2H3/t17-/m1/s1