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

Systemtic Name: N-[(2S)-3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]-N-methyl-4-nitro-benzamide Openeye Name: N-[(2S)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]-N-methyl-4-nitro-benzamide CAS Name: N-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N-methyl-4-nitrobenzamide IUPAC Name: N-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-N-methyl-4-nitrobenzamide Traditional Name: N-[(2S)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]-N-methyl-4-nitro-benzamide Formula: C18H19ClN2O5 MolecularWeight: 378.80686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O5/c1-12-9-16(7-8-17(12)19)26-11-15(22)10-20(2)18(23)13-3-5-14(6-4-13)21(24)25/h3-9,15,22H,10-11H2,1-2H3/t15-/m0/s1