N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-4-nitro-benzamide

Systemtic Name: N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-4-nitro-benzamide Openeye Name: N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-4-nitro-benzamide CAS Name: N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-4-nitrobenzamide IUPAC Name: N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-4-nitrobenzamide Traditional Name: N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-4-nitro-benzamide Formula: C19H20N2O5 MolecularWeight: 356.3725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(O1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H20N2O5/c1-19(2)25-12-16(17(26-19)13-6-4-3-5-7-13)20-18(22)14-8-10-15(11-9-14)21(23)24/h3-11,16-17H,12H2,1-2H3,(H,20,22)/t16-,17-/m0/s1