methyl (1S)-3-azanylidene-1-cyano-4-fluoranyl-1-(1-methylpyrrol-2-yl)-2H-indene-2-carboxylate

Systemtic Name: methyl (1S)-3-azanylidene-1-cyano-4-fluoranyl-1-(1-methylpyrrol-2-yl)-2H-indene-2-carboxylate Openeye Name: methyl (1S)-1-cyano-4-fluoro-3-imino-1-(1-methylpyrrol-2-yl)indane-2-carboxylate CAS Name: (1S)-1-cyano-4-fluoro-3-imino-1-(1-methyl-2-pyrrolyl)-2H-indene-2-carboxylic acid methyl ester IUPAC Name: methyl (1S)-1-cyano-4-fluoro-3-imino-1-(1-methylpyrrol-2-yl)-2H-indene-2-carboxylate Traditional Name: (1S)-1-cyano-4-fluoro-3-imino-1-(1-methylpyrrol-2-yl)indane-2-carboxylic acid methyl ester Formula: C17H14FN3O2 MolecularWeight: 311.310363

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2(C(C(=N)C3=C2C=CC=C3F)C(=O)OC)C#N

Isomeric SMILES

CN1C=CC=C1[C@@]2(C(C(=N)C3=C2C=CC=C3F)C(=O)OC)C#N

InChI

InChI=1S/C17H14FN3O2/c1-21-8-4-7-12(21)17(9-19)10-5-3-6-11(18)13(10)15(20)14(17)16(22)23-2/h3-8,14,20H,1-2H3/t14?,17-/m1/s1