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

Systemtic Name: butyl 2-[2-chloranylethanoyl-(7-fluoranyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylate Openeye Name: butyl 2-[(2-chloroacetyl)-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylate 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 butyl ester IUPAC Name: butyl 2-[(2-chloroacetyl)-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[(2-chloroacetyl)-(7-fluoro-3-keto-4-propargyl-1,4-benzoxazin-6-yl)carbamoyl]cyclohexene-1-carboxylic acid butyl ester Formula: C25H26ClFN2O6 MolecularWeight: 504.935143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(CCCC1)C(=O)N(C2=C(C=C3C(=C2)N(C(=O)CO3)CC#C)F)C(=O)CCl

Isomeric SMILES

CCCCOC(=O)C1=C(CCCC1)C(=O)N(C2=C(C=C3C(=C2)N(C(=O)CO3)CC#C)F)C(=O)CCl

InChI

InChI=1S/C25H26ClFN2O6/c1-3-5-11-34-25(33)17-9-7-6-8-16(17)24(32)29(22(30)14-26)19-13-20-21(12-18(19)27)35-15-23(31)28(20)10-4-2/h2,12-13H,3,5-11,14-15H2,1H3