tert-butyl 3-(but-3-enoylamino)-6-chloranyl-indazole-1-carboxylate

Systemtic Name: tert-butyl 3-(but-3-enoylamino)-6-chloranyl-indazole-1-carboxylate Openeye Name: tert-butyl 3-(but-3-enoylamino)-6-chloro-indazole-1-carboxylate CAS Name: 6-chloro-3-(1-oxobut-3-enylamino)-1-indazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(but-3-enoylamino)-6-chloroindazole-1-carboxylate Traditional Name: 3-(but-3-enoylamino)-6-chloro-indazole-1-carboxylic acid tert-butyl ester Formula: C16H18ClN3O3 MolecularWeight: 335.78542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)Cl)C(=N1)NC(=O)CC=C

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)Cl)C(=N1)NC(=O)CC=C

InChI

InChI=1S/C16H18ClN3O3/c1-5-6-13(21)18-14-11-8-7-10(17)9-12(11)20(19-14)15(22)23-16(2,3)4/h5,7-9H,1,6H2,2-4H3,(H,18,19,21)