(2S)-2-(4-fluoranyl-2-methyl-phenyl)-5-oxidanylidene-1,4-diazepane-1-carboxylic acid

Systemtic Name: (2S)-2-(4-fluoranyl-2-methyl-phenyl)-5-oxidanylidene-1,4-diazepane-1-carboxylic acid Openeye Name: (2S)-2-(4-fluoro-2-methyl-phenyl)-5-oxo-1,4-diazepane-1-carboxylic acid CAS Name: (2S)-2-(4-fluoro-2-methylphenyl)-5-oxo-1,4-diazepane-1-carboxylic acid IUPAC Name: (2S)-2-(4-fluoro-2-methylphenyl)-5-oxo-1,4-diazepane-1-carboxylic acid Traditional Name: (2S)-2-(4-fluoro-2-methyl-phenyl)-5-keto-1,4-diazepane-1-carboxylic acid Formula: C13H15FN2O3 MolecularWeight: 266.268203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2CNC(=O)CCN2C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)F)[C@H]2CNC(=O)CCN2C(=O)O

InChI

InChI=1S/C13H15FN2O3/c1-8-6-9(14)2-3-10(8)11-7-15-12(17)4-5-16(11)13(18)19/h2-3,6,11H,4-5,7H2,1H3,(H,15,17)(H,18,19)/t11-/m1/s1