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

Systemtic Name: methyl (1S,2S)-3-azanylidene-1-cyano-4-fluoranyl-1-phenyl-2H-indene-2-carboxylate Openeye Name: methyl (1S,2S)-1-cyano-4-fluoro-3-imino-1-phenyl-indane-2-carboxylate CAS Name: (1S,2S)-1-cyano-4-fluoro-3-imino-1-phenyl-2H-indene-2-carboxylic acid methyl ester IUPAC Name: methyl (1S,2S)-1-cyano-4-fluoro-3-imino-1-phenyl-2H-indene-2-carboxylate Traditional Name: (1S,2S)-1-cyano-4-fluoro-3-imino-1-phenyl-indane-2-carboxylic acid methyl ester Formula: C18H13FN2O2 MolecularWeight: 308.306423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13FN2O2/c1-23-17(22)15-16(21)14-12(8-5-9-13(14)19)18(15,10-20)11-6-3-2-4-7-11/h2-9,15,21H,1H3/t15-,18+/m0/s1