N-[(2S)-3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]-N,2-dimethyl-3-nitro-benzamide

Systemtic Name: N-[(2S)-3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]-N,2-dimethyl-3-nitro-benzamide Openeye Name: N-[(2S)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]-N,2-dimethyl-3-nitro-benzamide CAS Name: N-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N,2-dimethyl-3-nitrobenzamide IUPAC Name: N-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N,2-dimethyl-3-nitrobenzamide Traditional Name: N-[(2S)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]-N,2-dimethyl-3-nitro-benzamide Formula: C19H21ClN2O5 MolecularWeight: 392.83344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(CN(C)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](CN(C)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)O)Cl

InChI

InChI=1S/C19H21ClN2O5/c1-12-9-15(7-8-17(12)20)27-11-14(23)10-21(3)19(24)16-5-4-6-18(13(16)2)22(25)26/h4-9,14,23H,10-11H2,1-3H3/t14-/m0/s1