(2S)-4-[2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-[2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-[2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-[2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-[2-nitro-4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C16H12F3N3O4 MolecularWeight: 367.27939

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2N1C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C16H12F3N3O4/c17-16(18,19)9-5-6-10(12(7-9)22(24)25)21-8-14(15(20)23)26-13-4-2-1-3-11(13)21/h1-7,14H,8H2,(H2,20,23)/t14-/m0/s1