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

Systemtic Name: 2-[2-chloranylethanoyl-(7-fluoranyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[(2-chloroacetyl)-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[[(2-chloro-1-oxoethyl)-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)amino]-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(2-chloroacetyl)-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(2-chloroacetyl)-(7-fluoro-3-keto-4-propargyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylic acid Formula: C21H18ClFN2O6 MolecularWeight: 448.828823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClFN2O6/c1-2-7-24-16-9-15(14(23)8-17(16)31-11-19(24)27)25(18(26)10-22)20(28)12-5-3-4-6-13(12)21(29)30/h1,8-9H,3-7,10-11H2,(H,29,30)