2-[(7-fluoranyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[(7-fluoranyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[[(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)amino]-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(7-fluoro-3-keto-4-propargyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylic acid Formula: C19H17FN2O5 MolecularWeight: 372.347083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)COC2=CC(=C(C=C21)NC(=O)C3=C(CCCC3)C(=O)O)F

Isomeric SMILES

C#CCN1C(=O)COC2=CC(=C(C=C21)NC(=O)C3=C(CCCC3)C(=O)O)F

InChI

InChI=1S/C19H17FN2O5/c1-2-7-22-15-9-14(13(20)8-16(15)27-10-17(22)23)21-18(24)11-5-3-4-6-12(11)19(25)26/h1,8-9H,3-7,10H2,(H,21,24)(H,25,26)