tert-butyl (2S)-6-chloranyl-2-(1-cyanoethenyl)-3-oxidanylidene-1H-indene-2-carboxylate

Systemtic Name: tert-butyl (2S)-6-chloranyl-2-(1-cyanoethenyl)-3-oxidanylidene-1H-indene-2-carboxylate Openeye Name: tert-butyl (2S)-5-chloro-2-(1-cyanovinyl)-1-oxo-indane-2-carboxylate CAS Name: (2S)-6-chloro-2-(1-cyanoethenyl)-3-oxo-1H-indene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-6-chloro-2-(1-cyanoethenyl)-3-oxo-1H-indene-2-carboxylate Traditional Name: (2S)-5-chloro-2-(1-cyanovinyl)-1-keto-indane-2-carboxylic acid tert-butyl ester Formula: C17H16ClNO3 MolecularWeight: 317.76684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CC2=C(C1=O)C=CC(=C2)Cl)C(=C)C#N

Isomeric SMILES

CC(C)(C)OC(=O)[C@@]1(CC2=C(C1=O)C=CC(=C2)Cl)C(=C)C#N

InChI

InChI=1S/C17H16ClNO3/c1-10(9-19)17(15(21)22-16(2,3)4)8-11-7-12(18)5-6-13(11)14(17)20/h5-7H,1,8H2,2-4H3/t17-/m0/s1