4-chloranyl-N-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-N-methyl-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-N-methyl-3-nitro-benzamide Openeye Name: 4-chloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-3-nitro-benzamide CAS Name: 4-chloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-chloro-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-3-nitro-benzamide Formula: C18H19ClN2O6 MolecularWeight: 394.80626

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(COC1=CC=C(C=C1)OC)O)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C[C@H](COC1=CC=C(C=C1)OC)O)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN2O6/c1-20(18(23)12-3-8-16(19)17(9-12)21(24)25)10-13(22)11-27-15-6-4-14(26-2)5-7-15/h3-9,13,22H,10-11H2,1-2H3/t13-/m1/s1