N-(2-cyanoethyl)-2,2-bis(fluoranylmethyl)-6-nitro-1,3-benzoxazine-4-carboxamide

Systemtic Name: N-(2-cyanoethyl)-2,2-bis(fluoranylmethyl)-6-nitro-1,3-benzoxazine-4-carboxamide Openeye Name: N-(2-cyanoethyl)-2,2-bis(fluoromethyl)-6-nitro-1,3-benzoxazine-4-carboxamide CAS Name: N-(2-cyanoethyl)-2,2-bis(fluoromethyl)-6-nitro-1,3-benzoxazine-4-carboxamide IUPAC Name: N-(2-cyanoethyl)-2,2-bis(fluoromethyl)-6-nitro-1,3-benzoxazine-4-carboxamide Traditional Name: N-(2-cyanoethyl)-2,2-bis(fluoromethyl)-6-nitro-1,3-benzoxazine-4-carboxamide Formula: C14H12F2N4O4 MolecularWeight: 338.266286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=NC(O2)(CF)CF)C(=O)NCCC#N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=NC(O2)(CF)CF)C(=O)NCCC#N

InChI

InChI=1S/C14H12F2N4O4/c15-7-14(8-16)19-12(13(21)18-5-1-4-17)10-6-9(20(22)23)2-3-11(10)24-14/h2-3,6H,1,5,7-8H2,(H,18,21)