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

Systemtic Name: 2-[ethanoyl-(7-fluoranyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[acetyl-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[[acetyl-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)amino]-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[acetyl-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[acetyl-(7-fluoro-3-keto-4-propargyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylic acid Formula: C21H19FN2O6 MolecularWeight: 414.383763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=C(C=C2C(=C1)N(C(=O)CO2)CC#C)F)C(=O)C3=C(CCCC3)C(=O)O

Isomeric SMILES

CC(=O)N(C1=C(C=C2C(=C1)N(C(=O)CO2)CC#C)F)C(=O)C3=C(CCCC3)C(=O)O

InChI

InChI=1S/C21H19FN2O6/c1-3-8-23-17-10-16(15(22)9-18(17)30-11-19(23)26)24(12(2)25)20(27)13-6-4-5-7-14(13)21(28)29/h1,9-10H,4-8,11H2,2H3,(H,28,29)