tert-butyl N-[(1S)-3-(6-chloranylpyridin-3-yl)-4-oxidanylidene-cyclohex-2-en-1-yl]carbamate

Systemtic Name: tert-butyl N-[(1S)-3-(6-chloranylpyridin-3-yl)-4-oxidanylidene-cyclohex-2-en-1-yl]carbamate Openeye Name: tert-butyl N-[(1S)-3-(6-chloro-3-pyridyl)-4-oxo-cyclohex-2-en-1-yl]carbamate CAS Name: N-[(1S)-3-(6-chloro-3-pyridinyl)-4-oxo-1-cyclohex-2-enyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S)-3-(6-chloropyridin-3-yl)-4-oxocyclohex-2-en-1-yl]carbamate Traditional Name: N-[(1S)-3-(6-chloro-3-pyridyl)-4-keto-cyclohex-2-en-1-yl]carbamic acid tert-butyl ester Formula: C16H19ClN2O3 MolecularWeight: 322.78666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(=O)C(=C1)C2=CN=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CCC(=O)C(=C1)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C16H19ClN2O3/c1-16(2,3)22-15(21)19-11-5-6-13(20)12(8-11)10-4-7-14(17)18-9-10/h4,7-9,11H,5-6H2,1-3H3,(H,19,21)/t11-/m0/s1