methyl (2R,3S)-2,3-diacetyloxy-3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoate

Systemtic Name: methyl (2R,3S)-2,3-diacetyloxy-3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoate Openeye Name: methyl (2R,3S)-2,3-diacetoxy-3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoate CAS Name: (2R,3S)-2,3-diacetyloxy-3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2,3-diacetyloxy-3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoate Traditional Name: (2R,3S)-2,3-diacetoxy-3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propionic acid methyl ester Formula: C19H18N4O6 MolecularWeight: 398.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=NN=C2N1N=C(C=C2)C3=CC=CC=C3)C(C(=O)OC)OC(=O)C

Isomeric SMILES

CC(=O)O[C@@H](C1=NN=C2N1N=C(C=C2)C3=CC=CC=C3)[C@H](C(=O)OC)OC(=O)C

InChI

InChI=1S/C19H18N4O6/c1-11(24)28-16(17(19(26)27-3)29-12(2)25)18-21-20-15-10-9-14(22-23(15)18)13-7-5-4-6-8-13/h4-10,16-17H,1-3H3/t16-,17-/m1/s1