2-azanyl-N-[(2R,5S)-2-(3-nitrophenyl)-1,3-dioxepan-5-yl]ethanamide

Systemtic Name: 2-azanyl-N-[(2R,5S)-2-(3-nitrophenyl)-1,3-dioxepan-5-yl]ethanamide Openeye Name: 2-amino-N-[(2R,5S)-2-(3-nitrophenyl)-1,3-dioxepan-5-yl]acetamide CAS Name: 2-amino-N-[(2R,5S)-2-(3-nitrophenyl)-1,3-dioxepan-5-yl]acetamide IUPAC Name: 2-amino-N-[(2R,5S)-2-(3-nitrophenyl)-1,3-dioxepan-5-yl]acetamide Traditional Name: 2-amino-N-[(2R,5S)-2-(3-nitrophenyl)-1,3-dioxepan-5-yl]acetamide Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OCC1NC(=O)CN)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CO[C@H](OC[C@H]1NC(=O)CN)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c14-7-12(17)15-10-4-5-20-13(21-8-10)9-2-1-3-11(6-9)16(18)19/h1-3,6,10,13H,4-5,7-8,14H2,(H,15,17)/t10-,13+/m0/s1