N-[(2S,5S)-2-(4-nitrophenyl)-1,3-dioxepan-5-yl]benzamide

Systemtic Name: N-[(2S,5S)-2-(4-nitrophenyl)-1,3-dioxepan-5-yl]benzamide Openeye Name: N-[(2S,5S)-2-(4-nitrophenyl)-1,3-dioxepan-5-yl]benzamide CAS Name: N-[(2S,5S)-2-(4-nitrophenyl)-1,3-dioxepan-5-yl]benzamide IUPAC Name: N-[(2S,5S)-2-(4-nitrophenyl)-1,3-dioxepan-5-yl]benzamide Traditional Name: N-[(2S,5S)-2-(4-nitrophenyl)-1,3-dioxepan-5-yl]benzamide Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OCC1NC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CO[C@@H](OC[C@H]1NC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c21-17(13-4-2-1-3-5-13)19-15-10-11-24-18(25-12-15)14-6-8-16(9-7-14)20(22)23/h1-9,15,18H,10-12H2,(H,19,21)/t15-,18-/m0/s1