methyl (1S,2R)-3-azanylidene-1-(4-chlorophenyl)-1-cyano-4-fluoranyl-2H-indene-2-carboxylate

Systemtic Name: methyl (1S,2R)-3-azanylidene-1-(4-chlorophenyl)-1-cyano-4-fluoranyl-2H-indene-2-carboxylate Openeye Name: methyl (1S,2R)-1-(4-chlorophenyl)-1-cyano-4-fluoro-3-imino-indane-2-carboxylate CAS Name: (1S,2R)-1-(4-chlorophenyl)-1-cyano-4-fluoro-3-imino-2H-indene-2-carboxylic acid methyl ester IUPAC Name: methyl (1S,2R)-1-(4-chlorophenyl)-1-cyano-4-fluoro-3-imino-2H-indene-2-carboxylate Traditional Name: (1S,2R)-1-(4-chlorophenyl)-1-cyano-4-fluoro-3-imino-indane-2-carboxylic acid methyl ester Formula: C18H12ClFN2O2 MolecularWeight: 342.751483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(=N)C2=C(C1(C#N)C3=CC=C(C=C3)Cl)C=CC=C2F

Isomeric SMILES

COC(=O)[C@H]1C(=N)C2=C([C@@]1(C#N)C3=CC=C(C=C3)Cl)C=CC=C2F

InChI

InChI=1S/C18H12ClFN2O2/c1-24-17(23)15-16(22)14-12(3-2-4-13(14)20)18(15,9-21)10-5-7-11(19)8-6-10/h2-8,15,22H,1H3/t15-,18-/m1/s1