[(2S)-4-(4-fluoranyl-3-nitro-phenyl)carbonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-yl-methanone

Systemtic Name: [(2S)-4-(4-fluoranyl-3-nitro-phenyl)carbonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-yl-methanone Openeye Name: [(2S)-4-(4-fluoro-3-nitro-benzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-(1-piperidyl)methanone CAS Name: [(2S)-4-[(4-fluoro-3-nitrophenyl)-oxomethyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-(1-piperidinyl)methanone IUPAC Name: [(2S)-4-(4-fluoro-3-nitrobenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone Traditional Name: [(2S)-4-(4-fluoro-3-nitro-benzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidino-methanone Formula: C21H20FN3O5 MolecularWeight: 413.399003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)C(=O)C4=CC(=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H]2CN(C3=CC=CC=C3O2)C(=O)C4=CC(=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C21H20FN3O5/c22-15-9-8-14(12-17(15)25(28)29)20(26)24-13-19(21(27)23-10-4-1-5-11-23)30-18-7-3-2-6-16(18)24/h2-3,6-9,12,19H,1,4-5,10-11,13H2/t19-/m0/s1