methyl 2-[5-chloranyl-2-(diethylamino)indazol-3-yl]-2-deuterio-2-deuteriooxy-ethanoate

Systemtic Name: methyl 2-[5-chloranyl-2-(diethylamino)indazol-3-yl]-2-deuterio-2-deuteriooxy-ethanoate Openeye Name: methyl 2-[5-chloro-2-(diethylamino)indazol-3-yl]-2-deuterio-2-deuteriooxy-acetate CAS Name: 2-[5-chloro-2-(diethylamino)-3-indazolyl]-2-deuterio-2-deuteriooxyacetic acid methyl ester IUPAC Name: methyl 2-[5-chloro-2-(diethylamino)indazol-3-yl]-2-deuterio-2-deuteriooxyacetate Traditional Name: 2-[5-chloro-2-(diethylamino)indazol-3-yl]-2-deuterio-2-deuteriooxy-acetic acid methyl ester Formula: C14H18ClN3O3 MolecularWeight: 313.776344

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)N1C(=C2C=C(C=CC2=N1)Cl)C(C(=O)OC)O

Isomeric SMILES

[2H]C(C1=C2C=C(C=CC2=NN1N(CC)CC)Cl)(C(=O)OC)O[2H]

InChI

InChI=1S/C14H18ClN3O3/c1-4-17(5-2)18-12(13(19)14(20)21-3)10-8-9(15)6-7-11(10)16-18/h6-8,13,19H,4-5H2,1-3H3/i13D,19D