N-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-4-propoxy-benzamide

Systemtic Name: N-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-4-propoxy-benzamide Openeye Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-4-propoxy-benzamide CAS Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-4-propoxybenzamide IUPAC Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-4-propoxybenzamide Traditional Name: N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-4-propoxy-benzamide Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H20N2O5/c1-2-11-25-16-9-5-14(6-10-16)18(22)19-12-17(21)13-3-7-15(8-4-13)20(23)24/h3-10,17,21H,2,11-12H2,1H3,(H,19,22)/t17-/m1/s1