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

Systemtic Name: ethyl (3R)-3-(1,3-benzodioxol-5-yl)-2-ethanoyl-1-methyl-4-phenyl-3H-1,2,4,5-tetrazine-6-carboxylate Openeye Name: ethyl (3R)-2-acetyl-3-(1,3-benzodioxol-5-yl)-1-methyl-4-phenyl-3H-1,2,4,5-tetrazine-6-carboxylate CAS Name: (3R)-2-acetyl-3-(1,3-benzodioxol-5-yl)-1-methyl-4-phenyl-3H-1,2,4,5-tetrazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-2-acetyl-3-(1,3-benzodioxol-5-yl)-1-methyl-4-phenyl-3H-1,2,4,5-tetrazine-6-carboxylate Traditional Name: (3R)-2-acetyl-3-(1,3-benzodioxol-5-yl)-1-methyl-4-phenyl-3H-1,2,4,5-tetrazine-6-carboxylic acid ethyl ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(N(N1C)C(=O)C)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN([C@H](N(N1C)C(=O)C)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O5/c1-4-28-21(27)19-22-24(16-8-6-5-7-9-16)20(25(14(2)26)23(19)3)15-10-11-17-18(12-15)30-13-29-17/h5-12,20H,4,13H2,1-3H3/t20-/m1/s1